Line data Source code
1 : !--------------------------------------------------------------------------------------------------!
2 : ! CP2K: A general program to perform molecular dynamics simulations !
3 : ! Copyright 2000-2025 CP2K developers group <https://cp2k.org> !
4 : ! !
5 : ! SPDX-License-Identifier: GPL-2.0-or-later !
6 : !--------------------------------------------------------------------------------------------------!
7 :
8 : !--------------------------------------------------------------------------------------------------!
9 : ! Copyright (c) 2008, 2009, Joost VandeVondele and Manuel Guidon !
10 : ! All rights reserved. !
11 : ! !
12 : ! Redistribution and use in source and binary forms, with or without !
13 : ! modification, are permitted provided that the following conditions are met: !
14 : ! * Redistributions of source code must retain the above copyright !
15 : ! notice, this list of conditions and the following disclaimer. !
16 : ! * Redistributions in binary form must reproduce the above copyright !
17 : ! notice, this list of conditions and the following disclaimer in the !
18 : ! documentation and/or other materials provided with the distribution. !
19 : ! !
20 : ! THIS SOFTWARE IS PROVIDED BY Joost VandeVondele and Manuel Guidon AS IS AND ANY !
21 : ! EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED !
22 : ! WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE !
23 : ! DISCLAIMED. IN NO EVENT SHALL Joost VandeVondele or Manuel Guidon BE LIABLE FOR ANY !
24 : ! DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES !
25 : ! (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; !
26 : ! LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND !
27 : ! ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT !
28 : ! (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS !
29 : ! SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. !
30 : !--------------------------------------------------------------------------------------------------!
31 :
32 : ! **************************************************************************************************
33 : !> \brief This module computes the basic integrals for the truncated coulomb operator
34 : !>
35 : !> res(1) =G_0(R,T)= ((2*erf(sqrt(t))+erf(R-sqrt(t))-erf(R+sqrt(t)))/sqrt(t))
36 : !>
37 : !> and up to 21 derivatives with respect to T
38 : !>
39 : !> res(n+1)=(-1)**n d^n/dT^n G_0(R,T)
40 : !>
41 : !> The function is only computed for values of R,T which fulfil
42 : !>
43 : !> R**2 - 11.0_dp*R + 0.0_dp < T < R**2 + 11.0_dp*R + 50.0_dp where R>=0 T>=0
44 : !>
45 : !> for T larger than the upper bound, 0 is returned
46 : !> (which is accurate at least up to 1.0E-16)
47 : !> while for T smaller than the lower bound, the caller is instructed
48 : !> to use the conventional gamma function instead
49 : !> (i.e. the limit of above expression for R to Infinity)
50 : !>
51 : !> \author Joost VandeVondele and Manuel Guidon
52 : !> \par History
53 : !> Nov 2008, 2009 Joost VandeVondele and Manuel Guidon
54 : !> May 2019 A. Bussy: Added a get_maxl_init function to get current status of nderiv_init and
55 : !> moved the file to common (made it accessible from aobasis, same place as gamma.F).
56 : ! **************************************************************************************************
57 : MODULE t_c_g0
58 : USE kinds, ONLY: dp
59 : USE message_passing, ONLY: mp_comm_type
60 : #include "../base/base_uses.f90"
61 :
62 : IMPLICIT NONE
63 : PRIVATE
64 :
65 : PUBLIC :: t_c_g0_n, init, free_C0, get_lmax_init
66 : REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE, SAVE :: C0
67 : INTEGER, PARAMETER :: degree = 13
68 : REAL(KIND=dp), PARAMETER :: target_error = 0.100000E-08
69 : INTEGER, PARAMETER :: nderiv_max = 21
70 : INTEGER, SAVE :: nderiv_init = -1
71 : INTEGER, SAVE :: patches = -1
72 :
73 : CONTAINS
74 :
75 : ! **************************************************************************************************
76 : !> \brief ...
77 : !> \param RES ...
78 : !> \param use_gamma ...
79 : !> \param R ...
80 : !> \param T ...
81 : !> \param NDERIV ...
82 : ! **************************************************************************************************
83 145437127 : SUBROUTINE t_c_g0_n(RES, use_gamma, R, T, NDERIV)
84 : REAL(KIND=dp), INTENT(OUT) :: RES(*)
85 : LOGICAL, INTENT(OUT) :: use_gamma
86 : REAL(KIND=dp), INTENT(IN) :: R, T
87 : INTEGER, INTENT(IN) :: NDERIV
88 :
89 : REAL(KIND=dp) :: lower, TG1, TG2, upper, X1, X2
90 :
91 145437127 : use_gamma = .FALSE.
92 145437127 : upper = R**2 + 11.0_dp*R + 50.0_dp
93 145437127 : lower = R**2 - 11.0_dp*R + 0.0_dp
94 145437127 : IF (T > upper) THEN
95 3056849 : RES(1:NDERIV + 1) = 0.0_dp
96 3113893 : RETURN
97 : END IF
98 144730140 : IF (R <= 11.0_dp) THEN
99 141955275 : X2 = R/11.0_dp
100 141955275 : upper = R**2 + 11.0_dp*R + 50.0_dp
101 141955275 : lower = 0.0_dp
102 141955275 : X1 = (T - lower)/(upper - lower)
103 141955275 : IF (X1 <= 0.500000000000000000E+00_dp) THEN
104 104602717 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
105 97479265 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
106 79346440 : IF (X2 <= 0.125000000000000000E+00_dp) THEN
107 20269013 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
108 9424932 : IF (X2 <= 0.625000000000000000E-01_dp) THEN
109 1190480 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
110 612287 : IF (X2 <= 0.312500000000000000E-01_dp) THEN
111 41596 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
112 16419 : IF (X2 <= 0.156250000000000000E-01_dp) THEN
113 0 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
114 0 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
115 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
116 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 1))
117 : ELSE
118 0 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
119 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
120 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 2))
121 : END IF
122 : ELSE
123 16419 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
124 8065 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
125 8065 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
126 8065 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 3))
127 : ELSE
128 8354 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
129 8354 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
130 8354 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 4))
131 : END IF
132 : END IF
133 : ELSE
134 25177 : IF (X2 <= 0.156250000000000000E-01_dp) THEN
135 0 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
136 0 : TG2 = (2*X2 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
137 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 5))
138 : ELSE
139 25177 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
140 25177 : TG2 = (2*X2 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
141 25177 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 6))
142 : END IF
143 : END IF
144 : ELSE
145 570691 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
146 302127 : IF (X2 <= 0.468750000000000000E-01_dp) THEN
147 132338 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
148 67988 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
149 67988 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
150 67988 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 7))
151 : ELSE
152 64350 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
153 64350 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
154 64350 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 8))
155 : END IF
156 : ELSE
157 169789 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
158 129960 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
159 129960 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
160 129960 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 9))
161 : ELSE
162 39829 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
163 39829 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
164 39829 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 10))
165 : END IF
166 : END IF
167 : ELSE
168 268564 : IF (X2 <= 0.468750000000000000E-01_dp) THEN
169 205389 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
170 205389 : TG2 = (2*X2 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
171 205389 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 11))
172 : ELSE
173 63175 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
174 63175 : TG2 = (2*X2 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
175 63175 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 12))
176 : END IF
177 : END IF
178 : END IF
179 : ELSE
180 578193 : IF (X2 <= 0.312500000000000000E-01_dp) THEN
181 50972 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
182 16180 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
183 16180 : TG2 = (2*X2 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
184 16180 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 13))
185 : ELSE
186 34792 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
187 34792 : TG2 = (2*X2 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
188 34792 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 14))
189 : END IF
190 : ELSE
191 527221 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
192 283055 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
193 283055 : TG2 = (2*X2 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
194 283055 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 15))
195 : ELSE
196 244166 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
197 244166 : TG2 = (2*X2 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
198 244166 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 16))
199 : END IF
200 : END IF
201 : END IF
202 : ELSE
203 8234452 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
204 3974786 : IF (X2 <= 0.937500000000000000E-01_dp) THEN
205 929047 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
206 600023 : IF (X2 <= 0.781250000000000000E-01_dp) THEN
207 272714 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
208 239540 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
209 239540 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
210 239540 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 17))
211 : ELSE
212 33174 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
213 33174 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
214 33174 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 18))
215 : END IF
216 : ELSE
217 327309 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
218 237122 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
219 237122 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
220 237122 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 19))
221 : ELSE
222 90187 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
223 90187 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
224 90187 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 20))
225 : END IF
226 : END IF
227 : ELSE
228 329024 : IF (X2 <= 0.781250000000000000E-01_dp) THEN
229 65760 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
230 65760 : TG2 = (2*X2 - 0.140625000000000000E+00_dp)*0.640000000000000000E+02_dp
231 65760 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 21))
232 : ELSE
233 263264 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
234 263264 : TG2 = (2*X2 - 0.171875000000000000E+00_dp)*0.640000000000000000E+02_dp
235 263264 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 22))
236 : END IF
237 : END IF
238 : ELSE
239 3045739 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
240 1560421 : IF (X2 <= 0.109375000000000000E+00_dp) THEN
241 720731 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
242 512780 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
243 512780 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
244 512780 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 23))
245 : ELSE
246 207951 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
247 207951 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
248 207951 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 24))
249 : END IF
250 : ELSE
251 839690 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
252 607509 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
253 607509 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
254 607509 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 25))
255 : ELSE
256 232181 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
257 232181 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
258 232181 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 26))
259 : END IF
260 : END IF
261 : ELSE
262 1485318 : IF (X2 <= 0.109375000000000000E+00_dp) THEN
263 614599 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
264 614599 : TG2 = (2*X2 - 0.203125000000000000E+00_dp)*0.640000000000000000E+02_dp
265 614599 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 27))
266 : ELSE
267 870719 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
268 870719 : TG2 = (2*X2 - 0.234375000000000000E+00_dp)*0.640000000000000000E+02_dp
269 870719 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 28))
270 : END IF
271 : END IF
272 : END IF
273 : ELSE
274 4259666 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
275 2052946 : IF (X2 <= 0.937500000000000000E-01_dp) THEN
276 342793 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
277 342793 : TG2 = (2*X2 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
278 342793 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 29))
279 : ELSE
280 1710153 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
281 1710153 : TG2 = (2*X2 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
282 1710153 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 30))
283 : END IF
284 : ELSE
285 2206720 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
286 2206720 : TG2 = (2*X2 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
287 2206720 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 31))
288 : END IF
289 : END IF
290 : END IF
291 : ELSE
292 10844081 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
293 5771245 : TG1 = (2*X1 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
294 5771245 : TG2 = (2*X2 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
295 5771245 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 32))
296 : ELSE
297 5072836 : TG1 = (2*X1 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
298 5072836 : TG2 = (2*X2 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
299 5072836 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 33))
300 : END IF
301 : END IF
302 : ELSE
303 59077427 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
304 27367433 : IF (X2 <= 0.187500000000000000E+00_dp) THEN
305 17013846 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
306 8730022 : IF (X2 <= 0.156250000000000000E+00_dp) THEN
307 4225337 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
308 2029876 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
309 1358761 : IF (X2 <= 0.140625000000000000E+00_dp) THEN
310 598659 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
311 598659 : TG2 = (2*X2 - 0.265625000000000000E+00_dp)*0.640000000000000000E+02_dp
312 598659 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 34))
313 : ELSE
314 760102 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
315 760102 : TG2 = (2*X2 - 0.296875000000000000E+00_dp)*0.640000000000000000E+02_dp
316 760102 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 35))
317 : END IF
318 : ELSE
319 671115 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
320 671115 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
321 671115 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 36))
322 : END IF
323 : ELSE
324 2195461 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
325 962281 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
326 962281 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
327 962281 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 37))
328 : ELSE
329 1233180 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
330 1233180 : TG2 = (2*X2 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
331 1233180 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 38))
332 : END IF
333 : END IF
334 : ELSE
335 4504685 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
336 2913125 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
337 2008097 : IF (X2 <= 0.171875000000000000E+00_dp) THEN
338 818971 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
339 818971 : TG2 = (2*X2 - 0.328125000000000000E+00_dp)*0.640000000000000000E+02_dp
340 818971 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 39))
341 : ELSE
342 1189126 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
343 1189126 : TG2 = (2*X2 - 0.359375000000000000E+00_dp)*0.640000000000000000E+02_dp
344 1189126 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 40))
345 : END IF
346 : ELSE
347 905028 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
348 905028 : TG2 = (2*X2 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
349 905028 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 41))
350 : END IF
351 : ELSE
352 1591560 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
353 1591560 : TG2 = (2*X2 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
354 1591560 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 42))
355 : END IF
356 : END IF
357 : ELSE
358 8283824 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
359 4038165 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
360 4038165 : TG2 = (2*X2 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
361 4038165 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 43))
362 : ELSE
363 4245659 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
364 4245659 : TG2 = (2*X2 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
365 4245659 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 44))
366 : END IF
367 : END IF
368 : ELSE
369 10353587 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
370 7112573 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
371 5389473 : IF (X2 <= 0.218750000000000000E+00_dp) THEN
372 2866099 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
373 2007380 : IF (X2 <= 0.203125000000000000E+00_dp) THEN
374 1027313 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
375 1027313 : TG2 = (2*X2 - 0.390625000000000000E+00_dp)*0.640000000000000000E+02_dp
376 1027313 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 45))
377 : ELSE
378 980067 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
379 980067 : TG2 = (2*X2 - 0.421875000000000000E+00_dp)*0.640000000000000000E+02_dp
380 980067 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 46))
381 : END IF
382 : ELSE
383 858719 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
384 858719 : TG2 = (2*X2 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
385 858719 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 47))
386 : END IF
387 : ELSE
388 2523374 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
389 1898487 : IF (X2 <= 0.234375000000000000E+00_dp) THEN
390 882088 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
391 882088 : TG2 = (2*X2 - 0.453125000000000000E+00_dp)*0.640000000000000000E+02_dp
392 882088 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 48))
393 : ELSE
394 1016399 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
395 1016399 : TG2 = (2*X2 - 0.484375000000000000E+00_dp)*0.640000000000000000E+02_dp
396 1016399 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 49))
397 : END IF
398 : ELSE
399 624887 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
400 624887 : TG2 = (2*X2 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
401 624887 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 50))
402 : END IF
403 : END IF
404 : ELSE
405 1723100 : IF (X2 <= 0.218750000000000000E+00_dp) THEN
406 1075223 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
407 1075223 : TG2 = (2*X2 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
408 1075223 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 51))
409 : ELSE
410 647877 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
411 647877 : TG2 = (2*X2 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
412 647877 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 52))
413 : END IF
414 : END IF
415 : ELSE
416 3241014 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
417 1581922 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
418 1581922 : TG2 = (2*X2 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
419 1581922 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 53))
420 : ELSE
421 1659092 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
422 1659092 : TG2 = (2*X2 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
423 1659092 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 54))
424 : END IF
425 : END IF
426 : END IF
427 : ELSE
428 31709994 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
429 14359296 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
430 6611126 : TG1 = (2*X1 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
431 6611126 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
432 6611126 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 55))
433 : ELSE
434 7748170 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
435 7748170 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
436 7748170 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 56))
437 : END IF
438 : ELSE
439 17350698 : TG1 = (2*X1 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
440 17350698 : TG2 = (2*X2 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
441 17350698 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 57))
442 : END IF
443 : END IF
444 : END IF
445 : ELSE
446 18132825 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
447 13939744 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
448 12518978 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
449 10707765 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
450 6990263 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
451 4181087 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
452 3284350 : IF (X2 <= 0.281250000000000000E+00_dp) THEN
453 1748396 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
454 1748396 : TG2 = (2*X2 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
455 1748396 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 58))
456 : ELSE
457 1535954 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
458 1535954 : TG2 = (2*X2 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
459 1535954 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 59))
460 : END IF
461 : ELSE
462 896737 : IF (X2 <= 0.281250000000000000E+00_dp) THEN
463 508003 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
464 508003 : TG2 = (2*X2 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
465 508003 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 60))
466 : ELSE
467 388734 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
468 388734 : TG2 = (2*X2 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
469 388734 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 61))
470 : END IF
471 : END IF
472 : ELSE
473 2809176 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
474 2291351 : IF (X2 <= 0.343750000000000000E+00_dp) THEN
475 1223611 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
476 1223611 : TG2 = (2*X2 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
477 1223611 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 62))
478 : ELSE
479 1067740 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
480 1067740 : TG2 = (2*X2 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
481 1067740 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 63))
482 : END IF
483 : ELSE
484 517825 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
485 517825 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
486 517825 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 64))
487 : END IF
488 : END IF
489 : ELSE
490 3717502 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
491 3254636 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
492 2051052 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
493 1849802 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
494 1849802 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
495 1849802 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 65))
496 : ELSE
497 201250 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
498 201250 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
499 201250 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 66))
500 : END IF
501 : ELSE
502 1203584 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
503 1089454 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
504 1089454 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
505 1089454 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 67))
506 : ELSE
507 114130 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
508 114130 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
509 114130 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 68))
510 : END IF
511 : END IF
512 : ELSE
513 462866 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
514 287899 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
515 287899 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
516 287899 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 69))
517 : ELSE
518 174967 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
519 174967 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
520 174967 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 70))
521 : END IF
522 : END IF
523 : END IF
524 : ELSE
525 1811213 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
526 1388179 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
527 918123 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
528 614439 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
529 614439 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
530 614439 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 71))
531 : ELSE
532 303684 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
533 303684 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
534 303684 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 72))
535 : END IF
536 : ELSE
537 470056 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
538 265826 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
539 265826 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
540 265826 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 73))
541 : ELSE
542 204230 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
543 204230 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
544 204230 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 74))
545 : END IF
546 : END IF
547 : ELSE
548 423034 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
549 229125 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
550 150249 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
551 150249 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
552 150249 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 75))
553 : ELSE
554 78876 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
555 78876 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
556 78876 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 76))
557 : END IF
558 : ELSE
559 193909 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
560 124522 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
561 124522 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
562 124522 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 77))
563 : ELSE
564 69387 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
565 69387 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
566 69387 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 78))
567 : END IF
568 : END IF
569 : END IF
570 : END IF
571 : ELSE
572 1420766 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
573 1176628 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
574 530910 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
575 291022 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
576 291022 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
577 291022 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 79))
578 : ELSE
579 239888 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
580 168958 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
581 168958 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
582 168958 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 80))
583 : ELSE
584 70930 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
585 70930 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
586 70930 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 81))
587 : END IF
588 : END IF
589 : ELSE
590 645718 : IF (X2 <= 0.312500000000000000E+00_dp) THEN
591 543377 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
592 543377 : TG2 = (2*X2 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
593 543377 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 82))
594 : ELSE
595 102341 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
596 102341 : TG2 = (2*X2 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
597 102341 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 83))
598 : END IF
599 : END IF
600 : ELSE
601 244138 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
602 180565 : IF (X2 <= 0.437500000000000000E+00_dp) THEN
603 109479 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
604 109479 : TG2 = (2*X2 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
605 109479 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 84))
606 : ELSE
607 71086 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
608 44398 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
609 44398 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
610 44398 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 85))
611 : ELSE
612 26688 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
613 26688 : TG2 = (2*X2 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
614 26688 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 86))
615 : END IF
616 : END IF
617 : ELSE
618 63573 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
619 38919 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
620 38919 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
621 38919 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 87))
622 : ELSE
623 24654 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
624 24654 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
625 24654 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 88))
626 : END IF
627 : END IF
628 : END IF
629 : END IF
630 : ELSE
631 4193081 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
632 1272210 : IF (X2 <= 0.375000000000000000E+00_dp) THEN
633 1145693 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
634 535942 : TG1 = (2*X1 - 0.562500000000000000E+00_dp)*0.160000000000000000E+02_dp
635 535942 : TG2 = (2*X2 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
636 535942 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 89))
637 : ELSE
638 609751 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
639 609751 : TG2 = (2*X2 - 0.625000000000000000E+00_dp)*0.800000000000000000E+01_dp
640 609751 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 90))
641 : END IF
642 : ELSE
643 126517 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
644 62977 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
645 30161 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
646 30161 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
647 30161 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 91))
648 : ELSE
649 32816 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
650 32816 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
651 32816 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 92))
652 : END IF
653 : ELSE
654 63540 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
655 63540 : TG2 = (2*X2 - 0.875000000000000000E+00_dp)*0.800000000000000000E+01_dp
656 63540 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 93))
657 : END IF
658 : END IF
659 : ELSE
660 2920871 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
661 1257537 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
662 1257537 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
663 1257537 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 94))
664 : ELSE
665 1663334 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
666 1663334 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
667 1663334 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 95))
668 : END IF
669 : END IF
670 : END IF
671 : END IF
672 : ELSE
673 7123452 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
674 6846436 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
675 6585590 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
676 6192762 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
677 5916467 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
678 5695849 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
679 5535404 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
680 4158545 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
681 4158545 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
682 4158545 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 96))
683 : ELSE
684 1376859 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
685 1376859 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
686 1376859 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 97))
687 : END IF
688 : ELSE
689 160445 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
690 107532 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
691 107532 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
692 107532 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 98))
693 : ELSE
694 52913 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
695 52913 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
696 52913 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 99))
697 : END IF
698 : END IF
699 : ELSE
700 220618 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
701 136830 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
702 136830 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
703 136830 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 100))
704 : ELSE
705 83788 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
706 83788 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
707 83788 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 101))
708 : END IF
709 : END IF
710 : ELSE
711 276295 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
712 247422 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
713 188834 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
714 188834 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
715 188834 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 102))
716 : ELSE
717 58588 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
718 58588 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
719 58588 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 103))
720 : END IF
721 : ELSE
722 28873 : IF (X1 <= 0.468750000000000000E-01_dp) THEN
723 16512 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
724 16512 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
725 16512 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 104))
726 : ELSE
727 12361 : TG1 = (2*X1 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
728 12361 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
729 12361 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 105))
730 : END IF
731 : END IF
732 : END IF
733 : ELSE
734 392828 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
735 352392 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
736 233261 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
737 139581 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
738 139581 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
739 139581 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 106))
740 : ELSE
741 93680 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
742 93680 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
743 93680 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 107))
744 : END IF
745 : ELSE
746 119131 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
747 97485 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
748 97485 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
749 97485 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 108))
750 : ELSE
751 21646 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
752 21646 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
753 21646 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 109))
754 : END IF
755 : END IF
756 : ELSE
757 40436 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
758 26821 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
759 26821 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
760 26821 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 110))
761 : ELSE
762 13615 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
763 13615 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
764 13615 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 111))
765 : END IF
766 : END IF
767 : END IF
768 : ELSE
769 260846 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
770 244724 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
771 196854 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
772 82957 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
773 38841 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
774 38841 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
775 38841 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 112))
776 : ELSE
777 44116 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
778 44116 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
779 44116 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 113))
780 : END IF
781 : ELSE
782 113897 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
783 80293 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
784 80293 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
785 80293 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 114))
786 : ELSE
787 33604 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
788 33604 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
789 33604 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 115))
790 : END IF
791 : END IF
792 : ELSE
793 47870 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
794 24216 : IF (X1 <= 0.156250000000000000E+00_dp) THEN
795 6837 : TG1 = (2*X1 - 0.281250000000000000E+00_dp)*0.320000000000000000E+02_dp
796 6837 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
797 6837 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 116))
798 : ELSE
799 17379 : TG1 = (2*X1 - 0.343750000000000000E+00_dp)*0.320000000000000000E+02_dp
800 17379 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
801 17379 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 117))
802 : END IF
803 : ELSE
804 23654 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
805 8608 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
806 8608 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
807 8608 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 118))
808 : ELSE
809 15046 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
810 15046 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
811 15046 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 119))
812 : END IF
813 : END IF
814 : END IF
815 : ELSE
816 16122 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
817 8262 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
818 6454 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
819 6454 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
820 6454 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 120))
821 : ELSE
822 1808 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
823 1808 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
824 1808 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 121))
825 : END IF
826 : ELSE
827 7860 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
828 6946 : IF (X1 <= 0.218750000000000000E+00_dp) THEN
829 3487 : TG1 = (2*X1 - 0.406250000000000000E+00_dp)*0.320000000000000000E+02_dp
830 3487 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
831 3487 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 122))
832 : ELSE
833 3459 : TG1 = (2*X1 - 0.468750000000000000E+00_dp)*0.320000000000000000E+02_dp
834 3459 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
835 3459 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 123))
836 : END IF
837 : ELSE
838 914 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
839 914 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
840 914 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 124))
841 : END IF
842 : END IF
843 : END IF
844 : END IF
845 : ELSE
846 277016 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
847 186146 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
848 121422 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
849 64391 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
850 51853 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
851 18126 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
852 18126 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
853 18126 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 125))
854 : ELSE
855 33727 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
856 33727 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
857 33727 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 126))
858 : END IF
859 : ELSE
860 12538 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
861 4930 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
862 4930 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
863 4930 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 127))
864 : ELSE
865 7608 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
866 7608 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
867 7608 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 128))
868 : END IF
869 : END IF
870 : ELSE
871 57031 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
872 48536 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
873 48536 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
874 48536 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 129))
875 : ELSE
876 8495 : IF (X1 <= 0.343750000000000000E+00_dp) THEN
877 2725 : TG1 = (2*X1 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
878 2725 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
879 2725 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 130))
880 : ELSE
881 5770 : TG1 = (2*X1 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
882 5770 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
883 5770 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 131))
884 : END IF
885 : END IF
886 : END IF
887 : ELSE
888 64724 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
889 48717 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
890 39785 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
891 24969 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
892 24969 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
893 24969 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 132))
894 : ELSE
895 14816 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
896 14816 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
897 14816 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 133))
898 : END IF
899 : ELSE
900 8932 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
901 3970 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
902 3970 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
903 3970 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 134))
904 : ELSE
905 4962 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
906 4962 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
907 4962 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 135))
908 : END IF
909 : END IF
910 : ELSE
911 16007 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
912 12246 : IF (X1 <= 0.343750000000000000E+00_dp) THEN
913 2306 : TG1 = (2*X1 - 0.656250000000000000E+00_dp)*0.320000000000000000E+02_dp
914 2306 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
915 2306 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 136))
916 : ELSE
917 9940 : TG1 = (2*X1 - 0.718750000000000000E+00_dp)*0.320000000000000000E+02_dp
918 9940 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
919 9940 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 137))
920 : END IF
921 : ELSE
922 3761 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
923 3761 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
924 3761 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 138))
925 : END IF
926 : END IF
927 : END IF
928 : ELSE
929 90870 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
930 55728 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
931 22023 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
932 15430 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
933 15430 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
934 15430 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 139))
935 : ELSE
936 6593 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
937 6593 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
938 6593 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 140))
939 : END IF
940 : ELSE
941 33705 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
942 33705 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
943 33705 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 141))
944 : END IF
945 : ELSE
946 35142 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
947 32886 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
948 4220 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
949 4220 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
950 4220 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 142))
951 : ELSE
952 28666 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
953 28666 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
954 28666 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 143))
955 : END IF
956 : ELSE
957 2256 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
958 974 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
959 974 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
960 974 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 144))
961 : ELSE
962 1282 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
963 1282 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
964 1282 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 145))
965 : END IF
966 : END IF
967 : END IF
968 : END IF
969 : END IF
970 : END IF
971 : ELSE
972 37352558 : IF (X1 <= 0.750000000000000000E+00_dp) THEN
973 31629970 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
974 31468872 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
975 20056436 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
976 16096989 : TG1 = (2*X1 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
977 16096989 : TG2 = (2*X2 - 0.250000000000000000E+00_dp)*0.400000000000000000E+01_dp
978 16096989 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 146))
979 : ELSE
980 3959447 : TG1 = (2*X1 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
981 3959447 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
982 3959447 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 147))
983 : END IF
984 : ELSE
985 11412436 : TG1 = (2*X1 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
986 11412436 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
987 11412436 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 148))
988 : END IF
989 : ELSE
990 161098 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
991 87861 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
992 62501 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
993 31030 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
994 31030 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
995 31030 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 149))
996 : ELSE
997 31471 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
998 31471 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
999 31471 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 150))
1000 : END IF
1001 : ELSE
1002 25360 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1003 13154 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1004 13154 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1005 13154 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 151))
1006 : ELSE
1007 12206 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1008 12206 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1009 12206 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 152))
1010 : END IF
1011 : END IF
1012 : ELSE
1013 73237 : IF (X1 <= 0.687500000000000000E+00_dp) THEN
1014 40416 : TG1 = (2*X1 - 0.131250000000000000E+01_dp)*0.160000000000000000E+02_dp
1015 40416 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1016 40416 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 153))
1017 : ELSE
1018 32821 : TG1 = (2*X1 - 0.143750000000000000E+01_dp)*0.160000000000000000E+02_dp
1019 32821 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1020 32821 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 154))
1021 : END IF
1022 : END IF
1023 : END IF
1024 : ELSE
1025 5722588 : TG1 = (2*X1 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1026 5722588 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1027 5722588 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 155))
1028 : END IF
1029 : END IF
1030 : ELSE
1031 2774865 : IF (T < lower) THEN
1032 2406906 : use_gamma = .TRUE.
1033 2406906 : RETURN
1034 : END IF
1035 367959 : X2 = 11.0_dp/R
1036 367959 : X1 = (T - lower)/(upper - lower)
1037 367959 : IF (X1 <= 0.500000000000000000E+00_dp) THEN
1038 323853 : IF (X1 <= 0.250000000000000000E+00_dp) THEN
1039 49952 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1040 0 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
1041 0 : IF (X2 <= 0.250000000000000000E+00_dp) THEN
1042 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1043 0 : TG2 = (2*X2 - 0.250000000000000000E+00_dp)*0.400000000000000000E+01_dp
1044 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 156))
1045 : ELSE
1046 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1047 0 : TG2 = (2*X2 - 0.750000000000000000E+00_dp)*0.400000000000000000E+01_dp
1048 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 157))
1049 : END IF
1050 : ELSE
1051 0 : TG1 = (2*X1 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
1052 0 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1053 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 158))
1054 : END IF
1055 : ELSE
1056 49952 : IF (X1 <= 0.125000000000000000E+00_dp) THEN
1057 47154 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
1058 4686 : IF (X2 <= 0.625000000000000000E+00_dp) THEN
1059 0 : TG1 = (2*X1 - 0.125000000000000000E+00_dp)*0.800000000000000000E+01_dp
1060 0 : TG2 = (2*X2 - 0.112500000000000000E+01_dp)*0.800000000000000000E+01_dp
1061 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 159))
1062 : ELSE
1063 4686 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
1064 3868 : TG1 = (2*X1 - 0.625000000000000000E-01_dp)*0.160000000000000000E+02_dp
1065 3868 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1066 3868 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 160))
1067 : ELSE
1068 818 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
1069 818 : TG2 = (2*X2 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1070 818 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 161))
1071 : END IF
1072 : END IF
1073 : ELSE
1074 42468 : IF (X1 <= 0.625000000000000000E-01_dp) THEN
1075 34084 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1076 3898 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
1077 2145 : IF (X2 <= 0.812500000000000000E+00_dp) THEN
1078 622 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
1079 622 : TG2 = (2*X2 - 0.156250000000000000E+01_dp)*0.160000000000000000E+02_dp
1080 622 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 162))
1081 : ELSE
1082 1523 : TG1 = (2*X1 - 0.312500000000000000E-01_dp)*0.320000000000000000E+02_dp
1083 1523 : TG2 = (2*X2 - 0.168750000000000000E+01_dp)*0.160000000000000000E+02_dp
1084 1523 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 163))
1085 : END IF
1086 : ELSE
1087 1753 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
1088 1753 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1089 1753 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 164))
1090 : END IF
1091 : ELSE
1092 30186 : IF (X1 <= 0.312500000000000000E-01_dp) THEN
1093 24318 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1094 2670 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
1095 2340 : IF (X2 <= 0.906250000000000000E+00_dp) THEN
1096 220 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
1097 220 : TG2 = (2*X2 - 0.178125000000000000E+01_dp)*0.320000000000000000E+02_dp
1098 220 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 165))
1099 : ELSE
1100 2120 : TG1 = (2*X1 - 0.156250000000000000E-01_dp)*0.640000000000000000E+02_dp
1101 2120 : TG2 = (2*X2 - 0.184375000000000000E+01_dp)*0.320000000000000000E+02_dp
1102 2120 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 166))
1103 : END IF
1104 : ELSE
1105 330 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
1106 330 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1107 330 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 167))
1108 : END IF
1109 : ELSE
1110 21648 : IF (X1 <= 0.156250000000000000E-01_dp) THEN
1111 9436 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1112 4773 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
1113 2064 : IF (X2 <= 0.953125000000000000E+00_dp) THEN
1114 1202 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1115 1202 : TG2 = (2*X2 - 0.189062500000000000E+01_dp)*0.640000000000000000E+02_dp
1116 1202 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 168))
1117 : ELSE
1118 862 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1119 862 : TG2 = (2*X2 - 0.192187500000000000E+01_dp)*0.640000000000000000E+02_dp
1120 862 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 169))
1121 : END IF
1122 : ELSE
1123 2709 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1124 2709 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1125 2709 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 170))
1126 : END IF
1127 : ELSE
1128 4663 : IF (X1 <= 0.781250000000000000E-02_dp) THEN
1129 1720 : IF (X2 <= 0.984375000000000000E+00_dp) THEN
1130 659 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1131 659 : TG2 = (2*X2 - 0.195312500000000000E+01_dp)*0.640000000000000000E+02_dp
1132 659 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 171))
1133 : ELSE
1134 1061 : TG1 = (2*X1 - 0.781250000000000000E-02_dp)*0.128000000000000000E+03_dp
1135 1061 : TG2 = (2*X2 - 0.198437500000000000E+01_dp)*0.640000000000000000E+02_dp
1136 1061 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 172))
1137 : END IF
1138 : ELSE
1139 2943 : IF (X2 <= 0.984375000000000000E+00_dp) THEN
1140 633 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1141 633 : TG2 = (2*X2 - 0.195312500000000000E+01_dp)*0.640000000000000000E+02_dp
1142 633 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 173))
1143 : ELSE
1144 2310 : TG1 = (2*X1 - 0.234375000000000000E-01_dp)*0.128000000000000000E+03_dp
1145 2310 : TG2 = (2*X2 - 0.198437500000000000E+01_dp)*0.640000000000000000E+02_dp
1146 2310 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 174))
1147 : END IF
1148 : END IF
1149 : END IF
1150 : ELSE
1151 12212 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1152 2053 : TG1 = (2*X1 - 0.468750000000000000E-01_dp)*0.640000000000000000E+02_dp
1153 2053 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1154 2053 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 175))
1155 : ELSE
1156 10159 : IF (X1 <= 0.234375000000000000E-01_dp) THEN
1157 4456 : TG1 = (2*X1 - 0.390625000000000000E-01_dp)*0.128000000000000000E+03_dp
1158 4456 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1159 4456 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 176))
1160 : ELSE
1161 5703 : TG1 = (2*X1 - 0.546875000000000000E-01_dp)*0.128000000000000000E+03_dp
1162 5703 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1163 5703 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 177))
1164 : END IF
1165 : END IF
1166 : END IF
1167 : END IF
1168 : ELSE
1169 5868 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1170 1087 : TG1 = (2*X1 - 0.937500000000000000E-01_dp)*0.320000000000000000E+02_dp
1171 1087 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1172 1087 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 178))
1173 : ELSE
1174 4781 : IF (X1 <= 0.468750000000000000E-01_dp) THEN
1175 2780 : IF (X2 <= 0.968750000000000000E+00_dp) THEN
1176 489 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
1177 489 : TG2 = (2*X2 - 0.190625000000000000E+01_dp)*0.320000000000000000E+02_dp
1178 489 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 179))
1179 : ELSE
1180 2291 : TG1 = (2*X1 - 0.781250000000000000E-01_dp)*0.640000000000000000E+02_dp
1181 2291 : TG2 = (2*X2 - 0.196875000000000000E+01_dp)*0.320000000000000000E+02_dp
1182 2291 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 180))
1183 : END IF
1184 : ELSE
1185 2001 : TG1 = (2*X1 - 0.109375000000000000E+00_dp)*0.640000000000000000E+02_dp
1186 2001 : TG2 = (2*X2 - 0.193750000000000000E+01_dp)*0.160000000000000000E+02_dp
1187 2001 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 181))
1188 : END IF
1189 : END IF
1190 : END IF
1191 : END IF
1192 : ELSE
1193 8384 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1194 2881 : TG1 = (2*X1 - 0.187500000000000000E+00_dp)*0.160000000000000000E+02_dp
1195 2881 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1196 2881 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 182))
1197 : ELSE
1198 5503 : IF (X1 <= 0.937500000000000000E-01_dp) THEN
1199 4174 : IF (X2 <= 0.937500000000000000E+00_dp) THEN
1200 925 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
1201 925 : TG2 = (2*X2 - 0.181250000000000000E+01_dp)*0.160000000000000000E+02_dp
1202 925 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 183))
1203 : ELSE
1204 3249 : TG1 = (2*X1 - 0.156250000000000000E+00_dp)*0.320000000000000000E+02_dp
1205 3249 : TG2 = (2*X2 - 0.193750000000000000E+01_dp)*0.160000000000000000E+02_dp
1206 3249 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 184))
1207 : END IF
1208 : ELSE
1209 1329 : TG1 = (2*X1 - 0.218750000000000000E+00_dp)*0.320000000000000000E+02_dp
1210 1329 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1211 1329 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 185))
1212 : END IF
1213 : END IF
1214 : END IF
1215 : END IF
1216 : ELSE
1217 2798 : IF (X2 <= 0.750000000000000000E+00_dp) THEN
1218 4 : TG1 = (2*X1 - 0.375000000000000000E+00_dp)*0.800000000000000000E+01_dp
1219 4 : TG2 = (2*X2 - 0.125000000000000000E+01_dp)*0.400000000000000000E+01_dp
1220 4 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 186))
1221 : ELSE
1222 2794 : IF (X1 <= 0.187500000000000000E+00_dp) THEN
1223 1494 : IF (X2 <= 0.875000000000000000E+00_dp) THEN
1224 51 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
1225 51 : TG2 = (2*X2 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1226 51 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 187))
1227 : ELSE
1228 1443 : TG1 = (2*X1 - 0.312500000000000000E+00_dp)*0.160000000000000000E+02_dp
1229 1443 : TG2 = (2*X2 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1230 1443 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 188))
1231 : END IF
1232 : ELSE
1233 1300 : TG1 = (2*X1 - 0.437500000000000000E+00_dp)*0.160000000000000000E+02_dp
1234 1300 : TG2 = (2*X2 - 0.175000000000000000E+01_dp)*0.400000000000000000E+01_dp
1235 1300 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 189))
1236 : END IF
1237 : END IF
1238 : END IF
1239 : END IF
1240 : ELSE
1241 273901 : IF (X1 <= 0.375000000000000000E+00_dp) THEN
1242 3517 : IF (X1 <= 0.312500000000000000E+00_dp) THEN
1243 104 : IF (X1 <= 0.281250000000000000E+00_dp) THEN
1244 70 : TG1 = (2*X1 - 0.531250000000000000E+00_dp)*0.320000000000000000E+02_dp
1245 70 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1246 70 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 190))
1247 : ELSE
1248 34 : TG1 = (2*X1 - 0.593750000000000000E+00_dp)*0.320000000000000000E+02_dp
1249 34 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1250 34 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 191))
1251 : END IF
1252 : ELSE
1253 3413 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1254 0 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
1255 0 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1256 0 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 192))
1257 : ELSE
1258 3413 : TG1 = (2*X1 - 0.687500000000000000E+00_dp)*0.160000000000000000E+02_dp
1259 3413 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1260 3413 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 193))
1261 : END IF
1262 : END IF
1263 : ELSE
1264 270384 : IF (X1 <= 0.437500000000000000E+00_dp) THEN
1265 49380 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1266 1992 : TG1 = (2*X1 - 0.812500000000000000E+00_dp)*0.160000000000000000E+02_dp
1267 1992 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1268 1992 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 194))
1269 : ELSE
1270 47388 : IF (X1 <= 0.406250000000000000E+00_dp) THEN
1271 14892 : TG1 = (2*X1 - 0.781250000000000000E+00_dp)*0.320000000000000000E+02_dp
1272 14892 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1273 14892 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 195))
1274 : ELSE
1275 32496 : TG1 = (2*X1 - 0.843750000000000000E+00_dp)*0.320000000000000000E+02_dp
1276 32496 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1277 32496 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 196))
1278 : END IF
1279 : END IF
1280 : ELSE
1281 221004 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1282 132588 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
1283 132588 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1284 132588 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 197))
1285 : ELSE
1286 88416 : TG1 = (2*X1 - 0.937500000000000000E+00_dp)*0.160000000000000000E+02_dp
1287 88416 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1288 88416 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 198))
1289 : END IF
1290 : END IF
1291 : END IF
1292 : END IF
1293 : ELSE
1294 44106 : IF (X1 <= 0.750000000000000000E+00_dp) THEN
1295 26668 : IF (X1 <= 0.625000000000000000E+00_dp) THEN
1296 17739 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1297 3816 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1298 3772 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1299 3772 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1300 3772 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 199))
1301 : ELSE
1302 44 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1303 44 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1304 44 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 200))
1305 : END IF
1306 : ELSE
1307 13923 : IF (X1 <= 0.562500000000000000E+00_dp) THEN
1308 7806 : TG1 = (2*X1 - 0.106250000000000000E+01_dp)*0.160000000000000000E+02_dp
1309 7806 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1310 7806 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 201))
1311 : ELSE
1312 6117 : TG1 = (2*X1 - 0.118750000000000000E+01_dp)*0.160000000000000000E+02_dp
1313 6117 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1314 6117 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 202))
1315 : END IF
1316 : END IF
1317 : ELSE
1318 8929 : IF (X2 <= 0.500000000000000000E+00_dp) THEN
1319 40 : IF (X1 <= 0.687500000000000000E+00_dp) THEN
1320 28 : TG1 = (2*X1 - 0.131250000000000000E+01_dp)*0.160000000000000000E+02_dp
1321 28 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1322 28 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 203))
1323 : ELSE
1324 12 : TG1 = (2*X1 - 0.143750000000000000E+01_dp)*0.160000000000000000E+02_dp
1325 12 : TG2 = (2*X2 - 0.500000000000000000E+00_dp)*0.200000000000000000E+01_dp
1326 12 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 204))
1327 : END IF
1328 : ELSE
1329 8889 : TG1 = (2*X1 - 0.137500000000000000E+01_dp)*0.800000000000000000E+01_dp
1330 8889 : TG2 = (2*X2 - 0.150000000000000000E+01_dp)*0.200000000000000000E+01_dp
1331 8889 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 205))
1332 : END IF
1333 : END IF
1334 : ELSE
1335 17438 : IF (X1 <= 0.875000000000000000E+00_dp) THEN
1336 6488 : TG1 = (2*X1 - 0.162500000000000000E+01_dp)*0.800000000000000000E+01_dp
1337 6488 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1338 6488 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 206))
1339 : ELSE
1340 10950 : TG1 = (2*X1 - 0.187500000000000000E+01_dp)*0.800000000000000000E+01_dp
1341 10950 : TG2 = (2*X2 - 0.100000000000000000E+01_dp)*0.100000000000000000E+01_dp
1342 10950 : CALL PD2VAL(RES, NDERIV, TG1, TG2, C0(1, 207))
1343 : END IF
1344 : END IF
1345 : END IF
1346 : END IF
1347 : END SUBROUTINE t_c_g0_n
1348 :
1349 : ! **************************************************************************************************
1350 : !> \brief ...
1351 : !> \param Nder the number of derivatives that will actually be used
1352 : !> \param iunit contains the data file to initialize the table
1353 : !> \param mepos ...
1354 : !> \param group ...
1355 : ! **************************************************************************************************
1356 732 : SUBROUTINE init(Nder, iunit, mepos, group)
1357 : INTEGER, INTENT(IN) :: Nder, iunit, mepos
1358 :
1359 : CLASS(mp_comm_type), INTENT(IN) :: group
1360 :
1361 : INTEGER :: I
1362 732 : REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: chunk
1363 :
1364 732 : patches = 207
1365 732 : IF (Nder > nderiv_max) CPABORT("T_C_G0 init failed")
1366 732 : nderiv_init = Nder
1367 732 : IF (ALLOCATED(C0)) DEALLOCATE (C0)
1368 : ! round up to a multiple of 32 to give some generous alignment for each C0
1369 2928 : ALLOCATE (C0(32*((31 + (Nder + 1)*(degree + 1)*(degree + 2)/2)/32), patches))
1370 : ! init mpi'ed buffers to silence warnings under valgrind
1371 113117952 : C0 = 1.0E99_dp
1372 732 : IF (mepos == 0) THEN
1373 366 : ALLOCATE (chunk((nderiv_max + 1)*(degree + 1)*(degree + 2)/2))
1374 76128 : DO I = 1, patches
1375 75762 : READ (iunit, *) chunk
1376 55543848 : C0(1:(Nder + 1)*(degree + 1)*(degree + 2)/2, I) = chunk(1:(Nder + 1)*(degree + 1)*(degree + 2)/2)
1377 : END DO
1378 366 : DEALLOCATE (chunk)
1379 : END IF
1380 732 : CALL group%bcast(C0, 0)
1381 :
1382 732 : END SUBROUTINE init
1383 :
1384 : ! **************************************************************************************************
1385 : !> \brief ...
1386 : ! **************************************************************************************************
1387 356 : SUBROUTINE free_C0()
1388 356 : IF (ALLOCATED(C0)) DEALLOCATE (C0)
1389 356 : nderiv_init = -1
1390 356 : END SUBROUTINE free_C0
1391 :
1392 : ! **************************************************************************************************
1393 : !> \brief ...
1394 : !> \param RES ...
1395 : !> \param NDERIV ...
1396 : !> \param TG1 ...
1397 : !> \param TG2 ...
1398 : !> \param C0 ...
1399 : ! **************************************************************************************************
1400 142323234 : SUBROUTINE PD2VAL(RES, NDERIV, TG1, TG2, C0)
1401 : REAL(KIND=dp), INTENT(OUT) :: res(*)
1402 : INTEGER, INTENT(IN) :: NDERIV
1403 : REAL(KIND=dp), INTENT(IN) :: TG1, TG2, C0(105, *)
1404 :
1405 : REAL(KIND=dp), PARAMETER :: SQRT2 = 1.4142135623730950488016887242096980785696718753_dp
1406 :
1407 : INTEGER :: K
1408 : REAL(KIND=dp) :: T1(0:13), T2(0:13)
1409 :
1410 142323234 : T1(0) = 1.0_dp
1411 142323234 : T2(0) = 1.0_dp
1412 142323234 : T1(1) = SQRT2*TG1
1413 142323234 : T2(1) = SQRT2*TG2
1414 142323234 : T1(2) = 2*TG1*T1(1) - SQRT2
1415 142323234 : T2(2) = 2*TG2*T2(1) - SQRT2
1416 142323234 : T1(3) = 2*TG1*T1(2) - T1(1)
1417 142323234 : T2(3) = 2*TG2*T2(2) - T2(1)
1418 142323234 : T1(4) = 2*TG1*T1(3) - T1(2)
1419 142323234 : T2(4) = 2*TG2*T2(3) - T2(2)
1420 142323234 : T1(5) = 2*TG1*T1(4) - T1(3)
1421 142323234 : T2(5) = 2*TG2*T2(4) - T2(3)
1422 142323234 : T1(6) = 2*TG1*T1(5) - T1(4)
1423 142323234 : T2(6) = 2*TG2*T2(5) - T2(4)
1424 142323234 : T1(7) = 2*TG1*T1(6) - T1(5)
1425 142323234 : T2(7) = 2*TG2*T2(6) - T2(5)
1426 142323234 : T1(8) = 2*TG1*T1(7) - T1(6)
1427 142323234 : T2(8) = 2*TG2*T2(7) - T2(6)
1428 142323234 : T1(9) = 2*TG1*T1(8) - T1(7)
1429 142323234 : T2(9) = 2*TG2*T2(8) - T2(7)
1430 142323234 : T1(10) = 2*TG1*T1(9) - T1(8)
1431 142323234 : T2(10) = 2*TG2*T2(9) - T2(8)
1432 142323234 : T1(11) = 2*TG1*T1(10) - T1(9)
1433 142323234 : T2(11) = 2*TG2*T2(10) - T2(9)
1434 142323234 : T1(12) = 2*TG1*T1(11) - T1(10)
1435 142323234 : T2(12) = 2*TG2*T2(11) - T2(10)
1436 142323234 : T1(13) = 2*TG1*T1(12) - T1(11)
1437 142323234 : T2(13) = 2*TG2*T2(12) - T2(11)
1438 526415366 : DO K = 1, NDERIV + 1
1439 384092132 : RES(K) = 0.0_dp
1440 5761381980 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:13), C0(1:14, K))*T2(0)
1441 5377289848 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:12), C0(15:27, K))*T2(1)
1442 4993197716 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:11), C0(28:39, K))*T2(2)
1443 4609105584 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:10), C0(40:50, K))*T2(3)
1444 4225013452 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:9), C0(51:60, K))*T2(4)
1445 3840921320 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:8), C0(61:69, K))*T2(5)
1446 3456829188 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:7), C0(70:77, K))*T2(6)
1447 3072737056 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:6), C0(78:84, K))*T2(7)
1448 2688644924 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:5), C0(85:90, K))*T2(8)
1449 2304552792 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:4), C0(91:95, K))*T2(9)
1450 1920460660 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:3), C0(96:99, K))*T2(10)
1451 1536368528 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:2), C0(100:102, K))*T2(11)
1452 1152276396 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:1), C0(103:104, K))*T2(12)
1453 910507498 : RES(K) = RES(K) + DOT_PRODUCT(T1(0:0), C0(105:105, K))*T2(13)
1454 : END DO
1455 142323234 : END SUBROUTINE PD2VAL
1456 :
1457 : ! **************************************************************************************************
1458 : !> \brief Returns the value of nderiv_init so that one can check if opening the potential file is
1459 : !> worhtwhile
1460 : !> \return ...
1461 : !> \author A. Bussy, 05.2019
1462 : ! **************************************************************************************************
1463 6946907 : FUNCTION get_lmax_init() RESULT(lmax_init)
1464 :
1465 : INTEGER :: lmax_init
1466 :
1467 6946907 : lmax_init = nderiv_init
1468 :
1469 6946907 : END FUNCTION get_lmax_init
1470 :
1471 : END MODULE t_c_g0
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