Commits · develop · Matthieu Verstraete / octopus · GitLab

Nov 16, 2016
- Merge branch 'hotfix-one_body' into 'develop' · 8b4666ba
  Micael Oliveira authored Nov 16, 2016
  8b4666ba
- This line was too long. · 546d32f2
  Nicolas Tancogne-Dejean authored Nov 16, 2016
  
  546d32f2
- Adding a check for MGGAs. · 0ee6fe3b
  Nicolas Tancogne-Dejean authored Nov 16, 2016
  
  0ee6fe3b
- Bugfix: the one_body matrix was not correct for the off-diagonal elements. · 199d709e
  Nicolas Tancogne-Dejean authored Nov 16, 2016
  
  199d709e
- Correcting a typo in a name. · c0b437f7
  Nicolas Tancogne-Dejean authored Nov 16, 2016
  
  c0b437f7
- parser: Comment and removing unused function declaration. · 949b3f4a
  David Strubbe authored Nov 16, 2016
  
  949b3f4a
- Fix svn:keywords Id and make comment lines Doxygen-read. · ca2a2103
  David Strubbe authored Nov 16, 2016
  
  ca2a2103
Nov 15, 2016
- Fixing some memory leaks and adding a stop in case of k-points, as this · c8ef3f53
  Nicolas Tancogne-Dejean authored Nov 15, 2016
  c8ef3f53
- Correcting a typo in a push_sub. · 346ba774
  Nicolas Tancogne-Dejean authored Nov 15, 2016
  
  346ba774
- Adding a new routine projector_commute_r_allatoms_alldir that does the · d983d6e7
  Nicolas Tancogne-Dejean authored Nov 15, 2016
  d983d6e7
- Bugfix: the paramagnetic current was not computed correctly in case of · 2852940b
  Nicolas Tancogne-Dejean authored Nov 15, 2016
  2852940b
- Update the assert test to match with the tolerance introduce in rev. 15649. · d0d8a7ab
  Nicolas Tancogne-Dejean authored Nov 15, 2016
  
  d0d8a7ab
Nov 14, 2016
- Reverted my commit r15738. It was not really generalized. · 958a35c0
  Shunsuke A. Sato authored Nov 14, 2016
  
  958a35c0
- Updating precision for a match that was failing in a machine not belonging to the test farm. · 045ad5da
  Micael Oliveira authored Nov 14, 2016
  
  045ad5da
- Updating reference value and precision for a match that was failing in a... · 1707c9b8
  Micael Oliveira authored Nov 14, 2016
  1707c9b8
- Changed the way the beta values are treated in the polarizability test: the... · 6438422f
  Micael Oliveira authored Nov 14, 2016
  6438422f
- This should allow the parser to use continuation lines (like bash, e.g.). When... · 604bc151
  Miguel Marques authored Nov 14, 2016
  604bc151
- Fixed a bug in the stress calculation. · c964e178
  Shunsuke A. Sato authored Nov 14, 2016
  
  c964e178
- Modified weight generation scheme for stargeneral to be applicable more general lattice vectors. · de86a677
  Shunsuke A. Sato authored Nov 14, 2016
  
  de86a677
- * The parser now write a list of unused variable assignments at the end of the... · d361db97
  David Strubbe authored Nov 14, 2016
  d361db97
- A disabled test I should have removed long ago. · 04f0936f
  David Strubbe authored Nov 14, 2016
  
  04f0936f
Nov 12, 2016
- svn:ignore liboct_parser/lib64 · d879c8eb
  David Strubbe authored Nov 12, 2016
  
  d879c8eb
- More svn:keywords 'Id'. · 226ffc8b
  David Strubbe authored Nov 12, 2016
  
  226ffc8b
- Set svn:keywords 'Id' on some files missing it. · c4705a8d
  David Strubbe authored Nov 12, 2016
  
  c4705a8d
- Move variable declaration outside loop body in parser. · 22fd8a16
  David Strubbe authored Nov 12, 2016
  
  22fd8a16
Nov 11, 2016
- * The environment variables are now parsed in a separate routine, so this... · fefa8448
  David Strubbe authored Nov 11, 2016
  fefa8448
- Revised syntax for including a file 'inc' in 'inp': "include inc". This... · 6782a3d8
  David Strubbe authored Nov 11, 2016
  6782a3d8
Nov 10, 2016
- You can now include another file into the input file like this:... · 08214de6
  David Strubbe authored Nov 10, 2016
  08214de6
- parser: use of comma as an operator, except in a list of function arguments or... · 7ab6f948
  David Strubbe authored Nov 10, 2016
  7ab6f948
- Update filename, forgotten in last commit. · 325da77a
  David Strubbe authored Nov 10, 2016
  
  325da77a
- * Rename a test input file in accordance with the .test file · 2158c2e4
  David Strubbe authored Nov 10, 2016
  2158c2e4
- modified weight generation scheme for stargeneral to use overcomplete set of... · f31d6c22
  Matthieu Verstraete authored Nov 10, 2016
  f31d6c22
Nov 09, 2016
- The gauge invariant kinetic energy density for mGGA was computed before the · 95a7d61a
  Nicolas Tancogne-Dejean authored Nov 09, 2016
  95a7d61a
- should fix failing test for KS inversion: default input was being overridden by test input · 912c8152
  Matthieu Verstraete authored Nov 09, 2016
  
  912c8152
- Bugfix: the ELF was not printed properly in parallel mode due to a missing argument. · 0cd7d8fd
  Nicolas Tancogne-Dejean authored Nov 09, 2016
  
  0cd7d8fd
Nov 08, 2016
- Changing two minus signs, one for the source term of the gauge field, · 0f5bded3
  Nicolas Tancogne-Dejean authored Nov 08, 2016
  0f5bded3
Nov 07, 2016
- Removing a useless line. · d35f6a2c
  Nicolas Tancogne-Dejean authored Nov 07, 2016
  
  d35f6a2c
- Adding the spin index that was missing. · 9e7f210e
  Nicolas Tancogne-Dejean authored Nov 07, 2016
  
  9e7f210e
Nov 06, 2016
- Updated poke interface (support for grids with different spacings in · 8f211463
  Xavier Andrade authored Nov 06, 2016
  8f211463
Nov 04, 2016
- td_write.F90 was not reverted in the previous commit. · 0e642d16
  Nicolas Tancogne-Dejean authored Nov 04, 2016
  
  0e642d16