Commits · 79d6edd6a7acffc7adede90ce74621e13ad45598 · qbox / qbox-public

05 Mar, 2008 1 commit

rel1_38_0 · 79d6edd6


git-svn-id: http://qboxcode.org/svn/qb/trunk@576 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 05, 2008

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12 Feb, 2008 1 commit
- Cleaned up XML output format. Removed comments. Added <timing> tag. · cb28c0e6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@574 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 12, 2008
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03 Feb, 2008 1 commit
- Added unit_cell to AtomSet · 32e60b21
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git-svn-id: http://qboxcode.org/svn/qb/trunk@572 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 03, 2008
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26 Jan, 2008 3 commits
- rel1_35_0 · a2a31f0e
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git-svn-id: http://qboxcode.org/svn/qb/trunk@570 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 26, 2008
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- added optional unit_cell elements to atomset · ea44e315
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git-svn-id: http://qboxcode.org/svn/qb/trunk@569 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 26, 2008
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- added parallel I/O using MPI-IO · 0cc5dccf
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git-svn-id: http://qboxcode.org/svn/qb/trunk@568 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 26, 2008
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25 Jan, 2008 1 commit
- added global index functions to ComplexMatrix · e1b8e902
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git-svn-id: http://qboxcode.org/svn/qb/trunk@567 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 25, 2008
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13 Jan, 2008 3 commits
- rel1_34_4 · 5882648a
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git-svn-id: http://qboxcode.org/svn/qb/trunk@565 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 13, 2008
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- optimize output of char strings · 054cdbd8
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git-svn-id: http://qboxcode.org/svn/qb/trunk@564 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 13, 2008
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- correct lda argument in blacs calls · 2b456c32
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git-svn-id: http://qboxcode.org/svn/qb/trunk@563 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 13, 2008
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15 Dec, 2007 4 commits
- rel1_34_3 · ab303e33
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git-svn-id: http://qboxcode.org/svn/qb/trunk@561 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 15, 2007
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- print warning msg only on task 0 · ab2345e7
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git-svn-id: http://qboxcode.org/svn/qb/trunk@560 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 15, 2007
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- fix XML comment in output · 0ad52808
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git-svn-id: http://qboxcode.org/svn/qb/trunk@559 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 15, 2007
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- print info on species when loading a sample · c687abf2
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git-svn-id: http://qboxcode.org/svn/qb/trunk@558 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 15, 2007
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29 Nov, 2007 17 commits
- rel1_34_2 · 43e5cd5c
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git-svn-id: http://qboxcode.org/svn/qb/trunk@556 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- updated xmlget build · 8e23dfeb
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git-svn-id: http://qboxcode.org/svn/qb/trunk@555 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- reverted to locally built atlas lib (precompiled Fedora6 lib causes crashes) · bca810e8
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git-svn-id: http://qboxcode.org/svn/qb/trunk@554 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- updated #includes · 2242af44
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git-svn-id: http://qboxcode.org/svn/qb/trunk@553 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- added test on small (wf) grid · 448cc405
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git-svn-id: http://qboxcode.org/svn/qb/trunk@552 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- fixed bug for big endian platforms · 8acfa490
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@551 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
  8acfa490 Browse Files
- New member create_contexts() · 09db290a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@550 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- Changed context allocation. Fixed update_occ, entropy for multiple k-points. · 0dd97468
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@549 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- Fixed comments · 79acfa53
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@548 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- Fixed print and write members · 5d94c175
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@547 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- Multiple k-point and wf velocity functionality · eedb452f
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@546 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
  eedb452f Browse Files
- Fix complex case · 73cf86f2
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@545 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- Fix comment · faf54a76
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@544 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
  faf54a76 Browse Files
- Fix forces with k-points. Fix bug introduced in 1.34.0. · 4dfd4a36
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@543 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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- use zcopy syntax instead of zcopy_ · 9473e997
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@542 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
  9473e997 Browse Files
- fix CP dynamics with k-points · ce1060ea
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@541 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
  ce1060ea Browse Files
- fix forces and stress with k-points · 6d4f5f33
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@540 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 29, 2007
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08 Nov, 2007 1 commit

removed debug print · 95ac2269


git-svn-id: http://qboxcode.org/svn/qb/trunk@538 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 08, 2007

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31 Oct, 2007 8 commits

rel1_34_1 · 32bce6f6


git-svn-id: http://qboxcode.org/svn/qb/trunk@537 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 31, 2007

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*** empty log message *** · 1e97b61b
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@536 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Oct 31, 2007
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use /usr/lib64 libs · 52686b74


git-svn-id: http://qboxcode.org/svn/qb/trunk@535 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 31, 2007

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use /usr/lib64 libraries · 8dbe85f9
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@534 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Oct 31, 2007
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fixed k-point functionality · 5fe12e5d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@533 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Oct 31, 2007
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fixed comment · 575a09ff


git-svn-id: http://qboxcode.org/svn/qb/trunk@532 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 31, 2007

575a09ff Browse Files

fixed print and write functions · c89bd139
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@531 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Oct 31, 2007
c89bd139 Browse Files

added zheevd. · 4adc91cc


git-svn-id: http://qboxcode.org/svn/qb/trunk@530 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 31, 2007

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