Commits · 9.0 · Steven Kirk / octopus · GitLab

May 14, 2019
- Merge branch 'release-9.0' into 'master' · 3747c5f5
  Micael Oliveira authored May 14, 2019
  View commits for tag 9.0 9.0
  3747c5f5
- Add new release to debian changelog. · 21e7e24a
  Micael Oliveira authored May 14, 2019
  
  21e7e24a
- Update date of release. · 99b21db7
  Micael Oliveira authored May 14, 2019
  
  99b21db7
May 10, 2019
- Loosening tolerances of the lda_u/07-noncollinear test, as the resuls seem to... · 6f471906
  Micael Oliveira authored May 10, 2019
  6f471906
May 08, 2019
- And another update to make the PGI compiler happy. · d50f3be3
  Micael Oliveira authored May 09, 2019
  
  d50f3be3
- Another update to make the PGI compiler happy. · 63c20f5a
  Micael Oliveira authored May 08, 2019
  
  63c20f5a
- Yet another test update. · 8c25c5e6
  Micael Oliveira authored May 08, 2019
  
  8c25c5e6
- More updates to test. · 8b62e55f
  Micael Oliveira authored May 08, 2019
  
  8b62e55f
- Update test references. · d59edbb4
  Micael Oliveira authored May 08, 2019
  
  d59edbb4
- Update ETSF_IO test to reflect the change in version name. · 81921ddc
  Micael Oliveira authored May 08, 2019
  
  81921ddc
May 07, 2019
- Bumping version number to 9.0. · f13abd57
  Micael Oliveira authored May 07, 2019
  
  f13abd57
- Update list of dependencies. · fda85fbf
  Micael Oliveira authored May 07, 2019
  
  fda85fbf
- Merge branch 'fixes_from_valgrind' into release-9.0 · d6313994
  Micael Oliveira authored May 07, 2019
  
  d6313994
May 06, 2019
- Initialize cell angles to 90 degrees. · bb4e4129
  Micael Oliveira authored May 06, 2019
  
  bb4e4129
- Change the order in which lda mixer is initialized to avoid memory leaks. Fixes #98. · 106235e5
  Micael Oliveira authored May 06, 2019
  
  106235e5
May 03, 2019
- Add missing call to parse_block_end. · 2935e900
  Micael Oliveira authored May 03, 2019
  
  2935e900
- Bug fix: a complex cube function was allocated, but then the code was trying... · b17d38d1
  Micael Oliveira authored May 03, 2019
  b17d38d1
- Fixed condition when converting c string to fortran, which resulted in an uninitialized character. · f4687161
  Micael Oliveira authored May 03, 2019
  
  f4687161
- Check if the current has been allocated before doing so. · bbbc3fbb
  Micael Oliveira authored May 03, 2019
  
  bbbc3fbb
- Add explicit interfaces for the nlopt functions, using iso_c_binding · 6bb920b3
  Micael Oliveira authored May 03, 2019
  6bb920b3
- Fix memory leak in optcontrol with nlopt. · 147b2194
  Micael Oliveira authored May 03, 2019
  
  147b2194
- Make sure all memory is deallocated in the pcm_eom module. · 5e3c81fd
  Micael Oliveira authored May 03, 2019
  
  5e3c81fd
- Initialize some variables to zero in the pcm module. · 3adf65d0
  Micael Oliveira authored May 03, 2019
  
  3adf65d0
May 02, 2019
- Add missing call to f_lib_finalize. · 454462b3
  Micael Oliveira authored May 02, 2019
  
  454462b3
- Fix a memory leak from a duplicated communicator. · f22136d2
  Micael Oliveira authored May 02, 2019
  
  f22136d2
- Tweak another test value. · 9ccc4615
  Micael Oliveira authored May 02, 2019
  
  9ccc4615
- Fix bug in orbitalbasis_build_empty: the same array was being allocated nstates times. · 6d2cabda
  Micael Oliveira authored May 02, 2019
  
  6d2cabda
- Tweak test values. · a06aee99
  Micael Oliveira authored May 02, 2019
  
  a06aee99
Apr 30, 2019
- Do not dump the number of local points in mesh_dump, as that information is... · 405d66cf
  Micael Oliveira authored Apr 30, 2019
  405d66cf
- Only root node has information about the symmetries of finite systems, so only... · 98a2046f
  Micael Oliveira authored Apr 30, 2019
  98a2046f
- Fix incorrect macro name: should be R_TCOMPLEX instead of R_TCMPLX. · f9b28e4f
  Micael Oliveira authored Apr 30, 2019
  
  f9b28e4f
- Fix a couple of memory leaks in the stress module. · 676634cd
  Micael Oliveira authored Apr 30, 2019
  
  676634cd
- Only copy the node components of the states type once in states_copy. · 9a98263e
  Micael Oliveira authored Apr 30, 2019
  
  9a98263e
- Check if hamiltonian should be applied packed only after the hamiltonian has been initialized. · 77925a9e
  Micael Oliveira authored Apr 30, 2019
  
  77925a9e
- Merge branch 'some_warnings' into 'release-9.0' · f547cf34
  Micael Oliveira authored Apr 30, 2019
  f547cf34
- Update test references and tolerances after change in xc functional. · 7016adcb
  Micael Oliveira authored Apr 30, 2019
  
  7016adcb
- Add hybrid GGAs and MGGAs to families that are incompatible with spinors. · 28f893a7
  Micael Oliveira authored Apr 30, 2019
  
  28f893a7
- Simplified the logic for PCM warnings. · d4dcb53c
  Micael Oliveira authored Apr 30, 2019
  
  d4dcb53c
Apr 29, 2019
- Forbid the use of GGA's and MGGA's with spinors, as the rotations of the gradients are missing. · bdaecfbf
  Micael Oliveira authored Apr 29, 2019
  
  bdaecfbf
- Merge branch 'release-9.0' into some_warnings · cf6ad04e
  Micael Oliveira authored Apr 29, 2019
  
  cf6ad04e