Commits · b2782761c48b2a3d2c39a8635393013b222fe213 · qbox / qbox-public

26 Feb, 2023 4 commits
- Update release.cpp · b2782761
  Francois Gygi authored 2 years ago
  
  b2782761
- rel1_75_1 · 8526d90e
  Francois Gygi authored 2 years ago
  
  8526d90e
- Merge branch 'develop' · a6136a46
  Francois Gygi authored 2 years ago
  
  a6136a46
- Fix size_t type for large sizes · 32b21732
  Francois Gygi authored 2 years ago
  
  32b21732
21 Feb, 2023 1 commit
- Work around MPI size limits in Wavefunction.cpp · c7530edf
  Francois Gygi authored 2 years ago
  
  c7530edf
19 Feb, 2023 1 commit
- Fix reading of large files with few tasks · 8c9152be
  Francois Gygi authored 2 years ago
  
  8c9152be
18 Feb, 2023 1 commit
- Use size_t in XML processing of restart file · 29bd7564
  Francois Gygi authored 2 years ago
  
  29bd7564
10 Dec, 2022 1 commit
- Increase precision in qbox_replicate.sh · 2288ea85
  Francois Gygi authored 2 years ago
  
  2288ea85
25 Sep, 2022 4 commits
- Update release.cpp · 85b68120
  Francois Gygi authored 2 years ago
  
  85b68120
- rel1_75_0 · 73a6d74f
  Francois Gygi authored 2 years ago
  
  73a6d74f
- Merge branch 'develop' · 08a19e71
  Francois Gygi authored 2 years ago
  
  08a19e71
- Remove vxc from vlocal in PlotCmd.cpp · 10727285
  Francois Gygi authored 2 years ago
  
  10727285
19 Sep, 2022 3 commits
- Remove unneeded update_rhor in PlotCmd.cpp · a7336f59
  Francois Gygi authored 2 years ago
  
  a7336f59
- Fix normalization in qbox_vavg.py · 82bbd1d4
  Francois Gygi authored 2 years ago
  
  82bbd1d4
- Fix qbox_vavg.py slow append · 65bfd558
  Francois Gygi authored 2 years ago
  
  65bfd558
21 Jul, 2022 1 commit
- Add <unistd.h> in qbd.cpp for usleep · e0e0b020
  Francois Gygi authored 2 years ago
  
  e0e0b020
18 Jul, 2022 4 commits
- Update release.cpp · 5e08bab7
  Francois Gygi authored 3 years ago
  
  5e08bab7
- rel1_74_4 · 42872f40
  Francois Gygi authored 3 years ago
  
  42872f40
- Merge branch 'develop' · 1543269e
  Francois Gygi authored 3 years ago
  
  1543269e
- Fix python scripts · ff6125a8
  Francois Gygi authored 3 years ago
  
  ff6125a8
04 Jul, 2022 3 commits
- Update release.cpp · f94f734c
  Francois Gygi authored 3 years ago
  
  f94f734c
- rel1_74_3 · b664518d
  Francois Gygi authored 3 years ago
  
  b664518d
- Merge branch 'develop' · 775a0174
  Francois Gygi authored 3 years ago
  
  775a0174
02 Jul, 2022 2 commits
- Cleanup/fix small density tests in RSH, HSE · f55ce083
  Francois Gygi authored 3 years ago
  
  f55ce083
- Remove a_ex and w args in RSH_exchange · a41afb32
  Francois Gygi authored 3 years ago
  
  a41afb32
01 Jul, 2022 1 commit
- Fix vx1 and vx2 in RSHFunctional::RSH_exchange · 6957cd6e
  Francois Gygi authored 3 years ago
  
  6957cd6e
25 Mar, 2022 5 commits
- Update release.cpp · 21d1341e
  Francois Gygi authored 3 years ago
  
  21d1341e
- rel1_74_2 · ee1ab5c1
  Francois Gygi authored 3 years ago
  
  ee1ab5c1
- Merge branch 'develop' · 1642412c
  Francois Gygi authored 3 years ago
  
  1642412c
- Define byte_t type, avoid conflict with std::byte · f435eadd
  Francois Gygi authored 3 years ago
  
  f435eadd
- Update macosx_openmpi arch file for gcc-11 · 61224598
  Francois Gygi authored 3 years ago
  
  61224598
24 Mar, 2022 1 commit
- Remove unused byteswap_double from wf handler · 40f9a89a
  Francois Gygi authored 3 years ago
  
  40f9a89a
23 Feb, 2022 1 commit
- Update qbox_dos.py use optional mu instead of ef · 7e7fa4da
  Francois Gygi authored 3 years ago
  
  7e7fa4da
22 Feb, 2022 1 commit
- Update qbox_dos.py, add ef parameter · 2a6b99f8
  Francois Gygi authored 3 years ago
  
  2a6b99f8
17 Jan, 2022 3 commits
- Update qbox_reduce.sh to replace orig xml file · 12b8adb2
  Francois Gygi authored 3 years ago
  
  12b8adb2
- Fix qbox_reduce.sh, remove dep on get_atomset.sh · a8525138
  Francois Gygi authored 3 years ago
  
  a8525138
- Fix comment in get_atomset.sh · 44584376
  Francois Gygi authored 3 years ago
  
  44584376
10 Jan, 2022 3 commits
- Update release.cpp · b94e4567
  Francois Gygi authored 3 years ago
  
  b94e4567
- rel1_74_1 · 08fec352
  Francois Gygi authored 3 years ago
  
  08fec352
- Merge branch 'develop' · ce047a09
  Francois Gygi authored 3 years ago
  
  ce047a09