Commits · ce96f449d1b9c2b5f74d8b0cc2b9ae61ffe2cea4 · qbox / qbox-public

26 Jun, 2013 4 commits
- update for use of Basis without Context · ce96f449
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1348 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 26, 2013
  ce96f449 Browse Files
- rel1_57_10 · 8331cfc8
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1345 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 26, 2013
  8331cfc8 Browse Files
- update dependencies on Context.o · 3e1775ef
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1344 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 26, 2013
  3e1775ef Browse Files
- use MPI column communicator instead of Context · 832f1b94
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1343 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 26, 2013
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25 Jun, 2013 13 commits
- update for AndersonMixer without Context · 68b63613
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1342 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  68b63613 Browse Files
- update for use of Basis without Context · 0834e893
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1341 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  0834e893 Browse Files
- update to use Basis without Context · 204d57f4
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1340 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  204d57f4 Browse Files
- more detailed output · c653e15b
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1339 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  c653e15b Browse Files
- remove dependency on Context · 71ad6870
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1338 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  71ad6870 Browse Files
- update for use of Basis without Context · 6b59e0d3
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1337 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  6b59e0d3 Browse Files
- removed dependency on Context · df1b947a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1336 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  df1b947a Browse Files
- removed dependency on Context · 1f5ee0d3
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1335 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  1f5ee0d3 Browse Files
- removed unused var mycol · dd343b51
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1334 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  dd343b51 Browse Files
- remove dependency on Context · 7cb320a8
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1333 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  7cb320a8 Browse Files
- remove dependency on Context · 719fabf8
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1332 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  719fabf8 Browse Files
- adapt for use of Basis MPI_Comm · e6e71dd6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1331 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
  e6e71dd6 Browse Files
- remove Context dependency, use MPI_Comm · 5046f404
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1330 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 25, 2013
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19 Jun, 2013 2 commits
- rel1_57_9 · 2470dfd0
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1327 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 19, 2013
  2470dfd0 Browse Files
- fixed current_gfdata_pos variable · 13ef1320
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1326 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 19, 2013
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18 Jun, 2013 3 commits
- rel1_57_8 · 043a2e54
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1318 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 18, 2013
  043a2e54 Browse Files
- restore positive constraint on delta_spin · 78612c5b
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1317 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 18, 2013
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- Fixed loading of gfdata into slater_det with non-zero deltaspin · 99854983
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1316 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 18, 2013
  99854983 Browse Files
17 Jun, 2013 3 commits
- Restored correct preconditioning when using stress confinement · 3db3b8a0
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1315 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 17, 2013
  3db3b8a0 Browse Files
- removed dep on ChargeDensity.h from header · f7f2c0e6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1314 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 17, 2013
  f7f2c0e6 Browse Files
- removed dependency on ChargeDensity.h from header · 7f05f531
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1313 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 17, 2013
  7f05f531 Browse Files
10 Jun, 2013 1 commit
- allow negative delta_spin values · 917b1b49
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1312 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 10, 2013
  917b1b49 Browse Files
06 Jun, 2013 3 commits
- Removed unused variables. · 2e5605bd
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1311 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 06, 2013
  2e5605bd Browse Files
- Removed unused variables. · 29d26350
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1310 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 06, 2013
  29d26350 Browse Files
- Removed deprecated use of conversion from char* to const char* in headers. · 29da96ea
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1309 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 06, 2013
  29da96ea Browse Files
29 Apr, 2013 3 commits


git-svn-id: http://qboxcode.org/svn/qb/trunk@1305 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Apr 29, 2013

fc491af8 Browse Files

renamed nscf_converged to nonscf_converged. · 82246818

removed printing of delta_ehart and delta_eigsum at each step.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1304 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Apr 29, 2013

82246818 Browse Files

fixed add_kpoint to avoid modifying occ of existing kpoints · ecb16b50
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1303 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Apr 29, 2013
ecb16b50 Browse Files

24 Apr, 2013 2 commits
- describe r1301 · 400088f6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1302 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 24, 2013
  400088f6 Browse Files
- print RC1 override message on pe0 only · 11b44136
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1301 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 24, 2013
  11b44136 Browse Files
21 Apr, 2013 4 commits
- (note: duplicate of trunk/src version) · 0bd937ab
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1298 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 21, 2013
  0bd937ab Browse Files
- rel1_57_6 · 8b614f08
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1297 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 21, 2013
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- set wfv to use same ctxt as s_.wf · 0ec9ba74
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1296 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 21, 2013
  0ec9ba74 Browse Files
- rel1_57_5 · 0fdcaabd
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1293 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 21, 2013
  0fdcaabd Browse Files
17 Apr, 2013 2 commits
- fix mlwf calculation for spin polarized case · cc980738
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1292 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 17, 2013
  cc980738 Browse Files
- added spin implementation · d1e2f6f0
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1291 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 17, 2013
  d1e2f6f0 Browse Files