Ole Schütt
11454568b3
Fix conventions in mode_selective.F ( #5614 )
2026-07-21 14:13:55 +02:00
SY Wang
7de47fd987
Remove unused beta routines and move digamma to mathlib ( #5568 )
2026-07-13 09:45:08 +02:00
HE Zilong
d275998fba
Precommit: check for CPASSERT(.FALSE.), and empty CPABORT() ( #5491 )
2026-07-03 12:09:01 +02:00
RitajTyagi
2894a3be3d
RIRS: Improve RI-RS GW implementation, enable Γ-point calculation for large cells and integrate compile-time fix ( #5429 )
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Co-authored-by: Ritaj Tyagi <ritaj@pc1022553194.uni-regensburg.de>
2026-06-23 21:46:58 +02:00
Ole Schütt
50bd97db99
Fix conventions in qs_dispersion_s_dftd3.F and floquet_utils.F ( #5414 )
2026-06-20 16:58:15 +02:00
Johann Potot.
6250c82c2d
small fixes for D2/D3 ( #5398 )
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Co-authored-by: Johann Pototschnig <j.pototschnig@hzdr.de>
2026-06-19 16:51:28 +02:00
SY Wang
74766aa487
Update conventions suppression ( #5388 )
2026-06-14 12:11:20 +02:00
HE Zilong
71c7144468
Fix some format and convention of WRITE statements in cp_lbfgs.F ( #5324 )
2026-05-31 14:38:29 +02:00
SY Wang
0cecd9b435
Fix current coding conventions issues ( #5305 )
2026-05-27 23:07:30 +02:00
SY Wang
56c3704036
Add two conventions issues from "qs_dispersion_d4.F" to suppression file ( #5258 )
2026-05-21 09:42:18 +02:00
Dynamics of Condensed Matter
55d01f6722
Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage ( #5144 )
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Co-authored-by: Thomas D. Kuehne <tkuehne@cp2k.org>
2026-05-07 23:01:43 +02:00
Ole Schütt
7a21789bb5
Conventions: Stop reading PACKAGE files ( #5026 )
2026-03-30 17:39:28 +02:00
Ole Schütt
4e03334606
precommit: Update Python packages and re-format
2026-02-24 17:11:52 +01:00
Ole Schütt
76a1fba2f3
Fix OpenMP in qs_moment_kpoints
2026-02-07 15:03:48 +01:00
Hans Pabst
41057b29f4
Fixed conventions
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- Suppressed RANDOM_NUMBER and RANDOM_SEED.
2026-01-22 09:50:10 +01:00
Ole Schütt
166a3353c1
openPMD: Rename some files and fix conventions
2026-01-06 15:44:37 +01:00
Ole Schütt
ea09ec711c
Conventions: Add suppressions for tblite
2026-01-02 17:36:45 +01:00
Ole Schütt
7f1b8e30e7
MiMiC: Fix builds and conventions"
2025-12-28 23:15:30 +01:00
Ole Schütt
0e6a057b38
Docker: Migrate conventions test to CMake
2025-12-04 09:25:20 +01:00
Ole Schütt
67d10c874e
PAO: Fix conventions
2025-01-26 12:59:48 +01:00
Ole Schütt
5e5d546f60
Conventions: Fix false positives for allocatable char components
2024-07-30 14:00:51 +02:00
Juerg Hutter
57fb22b494
Work on coding conventions, add some GOTO suppressions ( #3489 )
2024-06-18 22:55:40 +02:00
Frederick Stein
7dca6e979f
Fix conventions ( #3485 )
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Fixes convention violations (except those from the lately introduced ones regarding k-point symmetries)
2024-06-18 11:37:41 +02:00
Frederick Stein
b7b4e7f64f
Conventions: Fix uninitialised variables and missing default initializers ( #3480 )
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This PR:
- fixes uninitialised variables
- adds default initializers for most types
- adds an implicit interface to one module
- removes ~300 suppressions of the convention checker
Default initializers are still missing due if the respective type member variables of the libraries
- DBCSR
- SIRIUS
- PEXSI
For the record:
- Types derived from the abstract type eri_type_eri_element_func may be false positives as all their member variables have a default (the base type does not have any member variables)
- semi_empirical_int_debug could be reimplemented using submodules (requiring adjustments on the build system) due to dependencies between this file and semi_empirical_int_utils
2024-06-17 10:31:33 +02:00
Ole Schütt
b1f098bdf7
Fix conventions after upgrade to GCC 13
2024-05-04 10:39:25 +02:00
Ole Schütt
2814a741ad
BSE: Fix conventions
2024-03-09 23:01:48 +01:00
Matthias Krack
a72b41a0ce
Suppress convention
2023-09-05 11:14:51 +02:00
Frederick Stein
2968ed4d97
Add more initializers ( #2896 )
2023-08-04 17:09:41 +02:00
Frederick Stein
e0de08f55d
Fix initializers ( #2888 )
2023-08-02 13:44:19 +02:00
Frederick Stein
72113d53c0
Add default initialization in HFX/WFC types ( #2838 )
2023-08-01 14:53:05 +02:00
Ole Schütt
65cca6c716
tddfpt: Add default initializers
2023-07-19 14:34:59 +02:00
Frederick Stein
42702ba3c1
Do not use the default initializer if it has an allocatable component
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This fixes testers with old compilers.
2023-06-26 12:10:15 +02:00
Ole Schütt
a60e880d36
Add initializers to qs_oce_types and sap_kind_types
2023-06-24 15:00:58 +02:00
Frederick Stein
6ce5ab86b4
Some fixes
2023-06-24 08:50:48 +02:00
Frederick Stein
58312cb85c
Some fixes
2023-06-24 08:50:48 +02:00
Frederick Stein
c00ca7e941
Add default initializers to linked lists
2023-06-24 08:50:48 +02:00
Frederick Stein
80ba73a8b4
Finish with motion package
2023-06-24 08:50:48 +02:00
Frederick Stein
f657b0dbdb
Continue with cell_opt_types, gopt_f_types, gopt_param_types, helium_types
2023-06-24 08:50:48 +02:00
Frederick Stein
e0c8a434d6
Add initializers in motion/thermostat and motion/mc
2023-06-24 08:50:48 +02:00
Frederick Stein
b99a7dd2a6
Add default initializers in tmc, swarm
2023-06-24 08:50:48 +02:00
Frederick Stein
a9894c051b
Add default initializers in input package
2023-06-24 08:50:48 +02:00
Frederick Stein
4b88f95544
Add default initializers in PW package
2023-06-24 08:50:48 +02:00
Frederick Stein
3e3c83cda8
Remove never used component of dg_type
2023-06-24 08:50:48 +02:00
Frederick Stein
fdd556a253
Add initializers in realspace_grid_types
2023-06-24 08:50:48 +02:00
Frederick Stein
8e79dd0f64
Add initializers in xc_derivative_types
2023-06-24 08:50:48 +02:00
Frederick Stein
8bed8263df
Add initializers in subsys_list.fypp
2023-06-24 08:50:48 +02:00
Ole Schütt
12c03de0ba
Reformat with black 23.3.0
2023-05-02 12:31:58 +02:00
Ole Schütt
94e961a8e6
Conventions: Ban calls to EXECUTE_COMMAND_LINE
2023-04-21 12:31:53 +02:00
Ole Schütt
2746062f82
Add default initializers to qs_diis_types.F and fist_nonbond_env_types.F
2023-04-14 15:28:42 +02:00
Ole Schütt
b57c5e43b9
DBT: Add default initializers and touch up Doxygen
2023-04-13 16:33:16 +02:00
