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--- codestructure [2013/10/10 14:22] – [Data Structure of Key Variables] 159.92.9.130
+++ codestructure [2013/12/25 15:55] – [File Names] 79.224.221.244
@@ Line 7: / Line 7: @@
   * ''qs_*'' for Quickstep related source codes (Hamiltonian construction, integration, collocation, energy minimisation and SCF cycle etc)
-  * ''xc_*'' for Exchange-Correlation functionals used by Quickstep ''md_*'' for Molecular Dynamics related source codes
+  * ''xc_*'' for Exchange-Correlation functionals used by Quickstep
+  * ''md_*'' for Molecular Dynamics related source codes
   * ''mc_*'' for Quantum Monte Carlo related source codes
   * ''fist_*'' for FIST classical MD related source codes
@@ Line 52: / Line 53: @@
 This subsection is the modules containing the definition the key data used in Quickstep calculations
-  * Electronic density and its derivatives, in various representations: sparse matrix in Gaussian basis, function on RS multi-grid, and as planewave coefficients etc.
+  * Electronic density and its derivatives, in various representations: sparse matrix in Gaussian basis, function on RS multi-grid, and as planewave coefficients etc. All density data are contained in a single container derived type.
     * Module: ''qs_rho_types''
     * File: ''qs_rho_types.F''
+    * Container type: ''qs_rho_type''