Commits · 4.0.0 · Christian Kern / octopus · GitLab

Jun 20, 2011
- Set version to 4.0.0. · 3405a559
  Xavier Andrade authored Jun 20, 2011
  
  View commits for tag 4.0.0 4.0.0
  3405a559
- 4.0.0 release. · 47a3fa0e
  Xavier Andrade authored Jun 20, 2011
  
  47a3fa0e
- Updated the version of the debian package. · 859332eb
  Xavier Andrade authored Jun 20, 2011
  
  859332eb
Jun 09, 2011
- Backport of r8004: · 0ec484a7
  David Strubbe authored Jun 09, 2011
  0ec484a7
Jun 06, 2011
- Backport of r7965, a trivial change (PUSH_SUB) to see if BuildBot will check the branch commit. · fa868513
  David Strubbe authored Jun 06, 2011
  
  fa868513
- Backport of r7978: · 68de58bb
  David Strubbe authored Jun 06, 2011
  68de58bb
- * Transformed the assigment of an assumed size array into a forall contruct... · 6c1a50e2
  Micael Oliveira authored Jun 06, 2011
  6c1a50e2
Jun 01, 2011
- Backport of r7926: · 55cb10f2
  David Strubbe authored Jun 01, 2011
  55cb10f2
- Backport of r7966: · a3845e97
  David Strubbe authored Jun 01, 2011
  a3845e97
- Backport of the key parts of r7955-r7958: · 459b4805
  David Strubbe authored Jun 01, 2011
  459b4805
May 25, 2011
- Backport of r7939: The contribution to the response density for vibrational... · 025532d6
  David Strubbe authored May 25, 2011
  025532d6
- Backport of r7925: Bugfix: if not all restart wfns are present for Sternheimer... · 13e7b5b4
  David Strubbe authored May 25, 2011
  13e7b5b4
- Backport of r7929: Fixed wrong column in test match, which sort of by chance was working anyway. · 06356206
  David Strubbe authored May 25, 2011
  
  06356206
May 24, 2011
- Backport of r7921 to 4.0.x: · e4b810e1
  David Strubbe authored May 24, 2011
  e4b810e1
- Backport of r7915 and 7916: Typo and mistake in warning. · d49bd460
  David Strubbe authored May 24, 2011
  
  d49bd460
May 18, 2011
- Backport: corrected the parameters of two KED functionals. · 5997a051
  Xavier Andrade authored May 18, 2011
  
  5997a051
May 13, 2011
- Created the 4.0.x branch. · e5642ee4
  Xavier Andrade authored May 13, 2011
  
  e5642ee4
- Removed a useless message. · b51d9e9e
  Xavier Andrade authored May 13, 2011
  
  b51d9e9e
- Updated the debian control file. · 8641eea1
  Xavier Andrade authored May 13, 2011
  
  8641eea1
- Some test files were missing from the Makefile. · bd7b740a
  Xavier Andrade authored May 13, 2011
  
  bd7b740a
May 12, 2011
- I forgot to rename the KS inversion test. · d5cc42a8
  Xavier Andrade authored May 12, 2011
  
  d5cc42a8
- * Fixed ionic contribution to dipole: in td multipoles for a spin-polarized... · 4d2f4fac
  David Strubbe authored May 12, 2011
  4d2f4fac
- Removed the error if applying electric perturbation in periodic direction:... · e7d71d11
  David Strubbe authored May 12, 2011
  e7d71d11
- * Reverted commit [7876] and subsequent changes to these files. I am · d8f27cb2
  Xavier Andrade authored May 12, 2011
  d8f27cb2
- * Indentation. · 514426dc
  David Strubbe authored May 12, 2011
  514426dc
- * Gathered the result array of PFFT, after backward execution, in 3D (into a loop). · 7da805cf
  Joseba authored May 12, 2011
  7da805cf
- The ks inversion test does not work in parallel. · bff0fb18
  Xavier Andrade authored May 12, 2011
  
  bff0fb18
- Libxc now defines XC_GGA_XC_LB to point to XC_GGA_X_LB. This keeps · 72356659
  Xavier Andrade authored May 12, 2011
  72356659
- The hm argument in xc_ks_inversion_calc is intent(in) for a reason. · 988413ad
  Xavier Andrade authored May 12, 2011
  
  988413ad
- * Made the KS inversion an independent test. · 5c579214
  Xavier Andrade authored May 12, 2011
  5c579214
- Fixed intent statement. · 16bd1404
  Johanna Fuks authored May 12, 2011
  
  16bd1404
- Fixed the check for an electric perturbation in periodic dimensions. · 4c4963be
  Xavier Andrade authored May 12, 2011
  
  4c4963be
- * Added new algorithm for KS inversion (PRL 100, 153004 (2008), Eq. (6)) · e068460e
  Johanna Fuks authored May 12, 2011
  e068460e
- * Changed the Linear Response::Response category for variables to Linear... · 830e8724
  David Strubbe authored May 12, 2011
  830e8724
- Density symmetrization is not experimental anymore. It is enabled by · d865f461
  Xavier Andrade authored May 12, 2011
  d865f461
- Now Octopus can read the non-standard UPF files generated by Quantum · ee023ea3
  Xavier Andrade authored May 12, 2011
  ee023ea3
- Slight improvements to documentation. · 0dbf1bdb
  David Strubbe authored May 12, 2011
  
  0dbf1bdb
May 11, 2011
- beta should only use kdotp in periodic directions, if the system is only partially periodic. · e4be4d81
  David Strubbe authored May 11, 2011
  
  e4be4d81
- The array called "infrared" in vib_modes is the minus of the Born charges, so... · ef564466
  David Strubbe authored May 11, 2011
  ef564466
- An if condition was backwards. · 6cb97d37
  David Strubbe authored May 11, 2011
  
  6cb97d37