Commits · 160d1ae3bbb3d97c0a94c3d253d3c84356236970 · QEF - Quantum ESPRESSO Foundation / q-e · GitLab

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Apr 26, 2010
- Various updateds to the documentation · 160d1ae3
  giannozz authored 15 years ago
  View commits for tag qe-4.1.3 qe-4.1.3
  
  160d1ae3
Apr 24, 2010
- Spin polarized B3LYP. (D.C.) · a7d60aa3
  dceresoli authored 15 years ago
  a7d60aa3
Apr 23, 2010
- bw2casino: Minor bugfixes (N. Nemec) · 9e815ded
  nn245 authored 15 years ago
  9e815ded
Apr 22, 2010
- Minor cleanup · d2bb58cc
  giannozz authored 15 years ago
  d2bb58cc
Apr 21, 2010
- Code lambda.f90 is again in a working state - courtesy of Eyvaz Isaev · 7ea0ad18
  giannozz authored 15 years ago
  7ea0ad18
- Code for calculating lambda updated (Eyvaz Isaev) · d74f6902
  giannozz authored 15 years ago
  d74f6902
- Small cleanup. · 3994aa39
  dalcorso authored 15 years ago
  3994aa39
- Incorrect calculation of local energy for Gamma · d80380b8
  giannozz authored 15 years ago
  d80380b8
Apr 20, 2010
- Minor cleanup · abaf3aa4
  giannozz authored 15 years ago
  abaf3aa4
- More confusion handling · d27c7361
  obm authored 15 years ago
  d27c7361
- Some comments and etc confusing users · db69133d
  obm authored 15 years ago
  db69133d
- Add backslash at the end of directory name pseudo_dir if missing · b586b697
  giannozz authored 15 years ago
  b586b697
- Yet another unitialized variable, which on sp6 turns out to get a "true" value · 2a368e0b
  giannozz authored 15 years ago
  2a368e0b
- Image parallelization for NEB and for EXX do not clash any longer · c7fcd8d2
  giannozz authored 15 years ago
  c7fcd8d2
- Minor cleanup of image parallelization for EXX; output is not redirected · 039e3fd4
  giannozz authored 15 years ago
  039e3fd4
Apr 19, 2010
- Program name changed from 'CP90' to 'CP' for consistency (and also to have · 548a08b3
  giannozz authored 15 years ago
  548a08b3
- operation between non-conformant arrays · b6007905
  giannozz authored 15 years ago
  b6007905
- add #ifdef EXX / #endif to previous commit. · f4e27ef4
  degironc authored 15 years ago
  f4e27ef4
- if EXX was active the code restart with density and wave functions from · ab3423d8
  marsamos authored 15 years ago
  ab3423d8
- Inverse of the correct pre-conditioning factor was used, which was way · ad2e192f
  paulatto authored 15 years ago
  ad2e192f
- exx restart "normaly", it is working but maybe some · 56e32f12
  marsamos authored 15 years ago
  56e32f12
- Two glitches in restart: 1) unit iunres should always be closed after reading · 18c1a98f
  giannozz authored 15 years ago
  18c1a98f
Apr 18, 2010
- One more addition to the FAQ · e6d1de04
  giannozz authored 15 years ago
  e6d1de04
Apr 17, 2010
- Reverting my changes to efg.f90. GIPAW has a new CVS root. (D.C.) · 44b395c7
  dceresoli authored 15 years ago
  44b395c7
- added call weights and call exxinit to exx_restart. EXX restart not · 300fed52
  marsamos authored 15 years ago
  300fed52
Apr 16, 2010
- distribution file re-added as binary. AF · 11deef1c
  ferretti authored 15 years ago
  11deef1c
- removed tmp becuase it was not added as a binary file. · 7a4937c7
  ferretti authored 15 years ago
  7a4937c7
- WanT version updated to WanT-2.3.0. · 3d37252c
  ferretti authored 15 years ago
  3d37252c
- Nev version of the script to extract core-wavefunctions from · 24637dc0
  calandra authored 15 years ago
  24637dc0
- Routine read_core_abs_paratec eliminated from file. · 47d45bc6
  calandra authored 15 years ago
  47d45bc6
- Incorrect call to davcio. Beware: "nwordwfc" in PW is defined as the number · 0e4ff5fe
  giannozz authored 15 years ago
  0e4ff5fe
- Cleaning of EFG code. There are many parts in common with hyperfine. · 713aee96
  dceresoli authored 15 years ago
  713aee96
Apr 15, 2010
- Reverting my changes. (D.C.) · b89e344c
  dceresoli authored 15 years ago
  b89e344c
- Forgotten piece of previous commit · 023e569f
  giannozz authored 15 years ago
  023e569f
- Exact exchange with spin works again. There was a problem with a call to · 48172a04
  giannozz authored 15 years ago
  48172a04
- Removing undocumented/untested feature from test: Symmetry operations in... · c65d3fe4
  obm authored 15 years ago
  c65d3fe4
Apr 14, 2010
- Erroneous commit reverted · 6e12f6fa
  giannozz authored 15 years ago
  6e12f6fa
- More unallocated variables (courtesy of Vittorio Zecca) · 236056c1
  giannozz authored 15 years ago
  236056c1
Apr 13, 2010
- Some small tidying up in TDDFPT post-processing · e642de2d
  obm authored 15 years ago
  e642de2d
- A few updates to the FAQ's - many more needed · 3c918159
  giannozz authored 15 years ago
  3c918159