Commits · 11.4 · Timothy Bergstresser / apache-octopus · GitLab

Jan 27, 2022
- updated version number · b76ec96a
  Martin Lueders authored Jan 27, 2022
  
  View commits for tag 11.4 11.4
  b76ec96a
Jan 25, 2022
- Merge branch 'fix_mpi_deadlock' into 'hotfix-11.4' · af8b90aa
  Nicolas Tancogne-Dejean authored Jan 25, 2022
  af8b90aa
- Fix race condition in restart_init. · 844ebdba
  Micael Oliveira authored Jan 25, 2022
  
  844ebdba
- Merge branch 'fix_cn_ionic_scale' into 'hotfix-11.4' · 06dc3ef6
  Micael Oliveira authored Jan 25, 2022
  06dc3ef6
- Fix a bug for CN propagator with moving ions. · d04ca5dc
  Nicolas Tancogne-Dejean authored Jan 24, 2022
  
  d04ca5dc
- Merge branch 'fix_output_kpoints' into 'hotfix-11.4' · 827c6ff2
  Micael Oliveira authored Jan 25, 2022
  827c6ff2
Jan 24, 2022
- Adapting the match lines accordingly. · 10044cbc
  Nicolas Tancogne-Dejean authored Jan 24, 2022
  
  10044cbc
- Fix output of the number of kpoints in many cases. · e7d4e99b
  Nicolas Tancogne-Dejean authored Jan 24, 2022
  
  e7d4e99b
- Merge branch 'fix_libxc_m4' into 'hotfix-11.4' · 5ff5f03b
  Nicolas Tancogne-Dejean authored Jan 24, 2022
  5ff5f03b
- Merge branch 'omp_simd' into 'hotfix-11.4' · 239f5495
  Sebastian Ohlmann authored Jan 24, 2022
  239f5495
Jan 20, 2022
- Require C++ 14, as CGAL also requires it. · 81194378
  Micael Oliveira authored Jan 20, 2022
  
  81194378
- Remove flags passed to the linker when detecting Libxc 5 in the corresponding... · feb8bf1f
  Micael Oliveira authored Jan 20, 2022
  feb8bf1f
Jan 18, 2022
- Correctly place the simd instruction. · a722fb8f
  Nicolas Tancogne-Dejean authored Jan 18, 2022
  
  a722fb8f
Jan 12, 2022
- Merge branch 'fix_openmp_submesh' into 'hotfix-11.4' · 429ac23c
  Sebastian Ohlmann authored Jan 12, 2022
  429ac23c
- Deactivate the OpenMP for overlaping sphere. The previous version of the code... · 14dad0ef
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  14dad0ef
- Fix some more openmp clauses. · c37b542d
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  
  c37b542d
- Fix a problem with overlapping spheres and a non-private array. · 0614f5fa
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  
  0614f5fa
- Add a missing private close. · 50ee7d74
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  
  50ee7d74
- BLAS can be compiled with OpenMP so it should not be in an OpenMP region. · 2263b04c
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  
  2263b04c
- Do not use OpenMP for overlapping sphere as in this case one would need a reduction. · 57fcfcda
  Nicolas Tancogne-Dejean authored Jan 12, 2022
  
  57fcfcda
Jan 07, 2022
- Merge branch 'fix_testsuite_sleep' into 'hotfix-11.4' · a39797a7
  Micael Oliveira authored Jan 07, 2022
  a39797a7
Jan 06, 2022
- Call the sleep command without the 's' suffix, as some flavours of *nix do not like it. · 0681ae4f
  Micael Oliveira authored Jan 06, 2022
  
  0681ae4f
Dec 02, 2021
- Merge branch 'fix_kpoint_parallelization' into 'hotfix-11.4' · 6dcf568c
  Micael Oliveira authored Dec 02, 2021
  6dcf568c
- Fixing a missing k-point reduction. · 6040882b
  Nicolas Tancogne-Dejean authored Dec 02, 2021
  
  6040882b
Nov 29, 2021
- corrected documentation for StaticMagneticField variable · 33b22d3f
  Martin Lueders authored Nov 29, 2021
  
  33b22d3f
- corrected documentation for StaticMagneticField variable · c02cd962
  Martin Lueders authored Nov 29, 2021
  
  c02cd962
Nov 25, 2021
- updated version number · 72cb5178
  Martin Lueders authored Nov 25, 2021
  
  View commits for tag 11.3 11.3
  72cb5178
Nov 19, 2021
- Merge branch 'force_efield' into 'hotfix-11.3' · 422d8112
  Micael Oliveira authored Nov 19, 2021
  422d8112
- Merge branch '528-fix-documention-on-unit-tests' into 'hotfix-11.3' · 39cc7df9
  Martin Lueders authored Nov 19, 2021
  39cc7df9
- changed Unittests category to Calculation Modes::Test and fixed OEPMixingScheme description · e2254ecc
  Martin Lueders authored Nov 19, 2021
  
  e2254ecc
- The initialization needs to be done before computing the forces. · b75173a0
  Nicolas Tancogne-Dejean authored Nov 19, 2021
  
  b75173a0
Nov 18, 2021
- fixed Unittests in doc/html/vars/Makefile.am · 887c447b
  Martin Lueders authored Nov 17, 2021
  
  887c447b
Nov 17, 2021
- added Unittests to doc/html/vars/Makefile.am · be138542
  Martin Lueders authored Nov 17, 2021
  
  be138542
- fixed accidental garbage in test.F90 · 3dea991d
  Martin Lueders authored Nov 17, 2021
  
  3dea991d
Nov 16, 2021
- changed category in Variable description for unit tests · e82066f7
  Martin Lueders authored Nov 16, 2021
  
  e82066f7
Nov 15, 2021
- Merge branch 'fix_restart_segfault' into 'hotfix-11.3' · f9eebe2a
  Sebastian Ohlmann authored Nov 15, 2021
  f9eebe2a
Nov 11, 2021
- Avoid a segmentation fault in case of restarting with state parallelization and k-points. · 3212f529
  Nicolas Tancogne-Dejean authored Nov 09, 2021
  
  3212f529
Nov 09, 2021
- Merge branch '515-uninitialized-mixer' into 'hotfix-11.3' · e4ba9c73
  Nicolas Tancogne-Dejean authored Nov 09, 2021
  e4ba9c73
Nov 05, 2021
- Fix a bug that was preventing to get the output forces_separate in case of not moving ions. · 86b4e7f0
  Nicolas Tancogne-Dejean authored Nov 05, 2021
  
  86b4e7f0
- Merge branch 'fix_error_message' into 'hotfix-11.3' · 04e084ab
  Micael Oliveira authored Nov 05, 2021
  04e084ab