Commits · rel1_63_11 · qbox / qbox-public

20 Mar, 2018 1 commit
- rel1_63_11 · be7d4cca
  Francois Gygi authored 7 years ago
  
  be7d4cca
15 Mar, 2018 1 commit
- adjust blocking factors of square matrices · 4e6e1b6a
  Huihuo Zheng authored 7 years ago
  
  4e6e1b6a
01 Nov, 2017 2 commits
- rel1_63_10 · 6203ee29
  Francois Gygi authored 7 years ago
  
  6203ee29
- Merge branch 'develop' · a04d421e
  Francois Gygi authored 7 years ago
  
  a04d421e
23 Oct, 2017 2 commits
- Implemented PSDA for complex wave functions · 058730d2
  Francois Gygi authored 7 years ago
  
  058730d2
- Update printing of electronic charge & net charge · 26c34952
  Francois Gygi authored 7 years ago
  
  26c34952
18 Oct, 2017 1 commit
- Add testSampleReader program · c102a324
  Francois Gygi authored 7 years ago
  
  c102a324
15 Oct, 2017 2 commits
- Add option to define constraint with current value · 8f857016
  Francois Gygi authored 7 years ago
  
  8f857016
- changed output format of constraint value, force · 35f2374d
  Francois Gygi authored 7 years ago
  
  35f2374d
13 Oct, 2017 1 commit
- Changed logic of shifts: zero shifts include Gamma · e85f85d4
  Francois Gygi authored 7 years ago
  
  e85f85d4
12 Oct, 2017 1 commit
- Generate xyz file from kpoint file · 25f2f96c
  Francois Gygi authored 7 years ago
  
  25f2f96c
15 Sep, 2017 1 commit
- Changed bisection tolerance from 1.0 to 0.001 · 718452ca
  Francois Gygi authored 7 years ago
  
  718452ca
12 Sep, 2017 4 commits
- Update release.C · 2c845290
  Francois Gygi authored 7 years ago
  
  2c845290
- Merge branch 'develop' · 64997aeb
  Francois Gygi authored 7 years ago
  
  64997aeb
- Update notes · 86cd05fb
  Francois Gygi authored 7 years ago
  
  86cd05fb
- Fix discontinuity in torsion constraint function · 5310d81c
  Francois Gygi authored 7 years ago
  
  5310d81c
11 Sep, 2017 2 commits
- Fix test for negative scf_tol value · ee9efe55
  Francois Gygi authored 7 years ago
  
  ee9efe55
- New implementation of kpgen · f47d0c1b
  Francois Gygi authored 7 years ago
  
  f47d0c1b
10 Sep, 2017 1 commit
- Added kpoint move functionality · 86be185c
  Francois Gygi authored 7 years ago
  
  86be185c
01 Sep, 2017 1 commit
- Merge branch 'upf2' into develop · dd1a11b6
  Francois Gygi authored 7 years ago
  
  dd1a11b6
31 Aug, 2017 3 commits
- Updated release string · b27eb269
  Francois Gygi authored 7 years ago
  
  b27eb269
- Added NLCC functionality · 45aea947
  Francois Gygi authored 7 years ago
  
  45aea947
- Implemented NL potential in UPF 2 format · ac8d7e60
  Francois Gygi authored 7 years ago
  
  ac8d7e60
30 Aug, 2017 1 commit
- Implemented UPF 2 format for SL potentials · ff8a4840
  Francois Gygi authored 7 years ago
  
  ff8a4840
10 Aug, 2017 1 commit
- Fix end of line in rseed help msg. · feb88aea
  Francois Gygi authored 7 years ago
  
  feb88aea
27 Jul, 2017 3 commits
- Fixed 1.63.8 release string · 45e7de9c
  Francois Gygi authored 7 years ago
  
  45e7de9c
- Merge branch 'hotfix24' · 9e73872c
  Francois Gygi authored 7 years ago
  
  9e73872c
- Fix discontinuity in torsion constraint function · 4ee30f9a
  Francois Gygi authored 7 years ago
  
  4ee30f9a
21 Jul, 2017 1 commit
- Removed enthalpy_int.plt · 6309a0ab
  Francois Gygi authored 7 years ago
  
  6309a0ab
16 Jul, 2017 1 commit
- Add util/enthalpy.plt script · e19b136a
  Francois Gygi authored 7 years ago
  
  e19b136a
12 Jul, 2017 1 commit
- Added -range option to cell.plt and econste_cmp.plt · 8d051ce4
  Francois Gygi authored 7 years ago
  
  8d051ce4
07 Jun, 2017 2 commits
- Fix file headers · f030ffc0
  Francois Gygi authored 8 years ago
  
  f030ffc0
- Removed $Id strings · d2a3c52a
  Francois Gygi authored 8 years ago
  
  d2a3c52a
14 Mar, 2017 1 commit

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1923 cba15fb0-1239-40c8-b417-11db7ca47a34

66b16485

12 Mar, 2017 6 commits

remove trailing white space · fda96f75

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1922 cba15fb0-1239-40c8-b417-11db7ca47a34

fda96f75

remove unneeded diagnostic output · a65b3cc7

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1921 cba15fb0-1239-40c8-b417-11db7ca47a34

a65b3cc7

Modified processCmdsServer to redirect cout to ostringstream. · aa4e1214

Francois Gygi authored 8 years ago

Use C I/O functions to write to output file and use fsync().


git-svn-id: http://qboxcode.org/svn/qb/trunk@1920 cba15fb0-1239-40c8-b417-11db7ca47a34

aa4e1214

Add testlock.C and testreassign.C · 10dbb7c9

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1919 cba15fb0-1239-40c8-b417-11db7ca47a34

10dbb7c9

Add cleanup of files in runtwin.sh · fcd36ea9

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1918 cba15fb0-1239-40c8-b417-11db7ca47a34

fcd36ea9

Fix string arguments and comments · 8353c7ca

Francois Gygi authored 8 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1917 cba15fb0-1239-40c8-b417-11db7ca47a34

8353c7ca