CP2K Open Source Molecular Dynamics

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conv [2023/06/23 19:10] – [c016] oschuettconv [2026/06/12 09:46] (current) – oschuett
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 ===== c012 ===== ===== c012 =====
 ⚠️ ''Found WRITE statement with hardcoded unit in "${proc}"'' ⚠️ ''Found WRITE statement with hardcoded unit in "${proc}"''
 +
 +✅ Please don't write to stdout directly, but instead use a [[dev:printkey]].
 +
 +
 +Printkeys allow the user to [[printkey|control]] the verbosity of the output.
  
 ---- ----
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 ⚠️ ''Found DEALLOCATE with STAT argument in "${proc}"'' ⚠️ ''Found DEALLOCATE with STAT argument in "${proc}"''
  
-✅ Please don't ''STAT='' to ''DEALLOCATE'' to ensure that the program stops after a failure.+✅ Please don't pass ''STAT='' to ''DEALLOCATE'' to ensure that the program stops after a failure.
  
 A failed deallocation is always indicative of a bug (e.g. double free or segmentation fault) and the program should not continue afterwards. A failed deallocation is always indicative of a bug (e.g. double free or segmentation fault) and the program should not continue afterwards.
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    REAL(dp), DIMENSION(:), ALLOCATABLE :: my_alloc    REAL(dp), DIMENSION(:), ALLOCATABLE :: my_alloc
        
-   ! Allocatables of derived types get automatically initialized upon allocation.+   ! Allocatables of derived types get auto initialized upon allocation.
    TYPE(bar_type), ALLOCATABLE         :: my_derived_alloc    TYPE(bar_type), ALLOCATABLE         :: my_derived_alloc
 END TYPE foo_type END TYPE foo_type
- 
-TYPE bar_type 
-   INTEGER                             :: my_int     = -1 
-END TYPE bar_type 
 </code> </code>
  
conv.1687547446.txt.gz · Last modified: by oschuett