Commits · b056281243a5adfd5c6bbc36c7221aa07cf12e9a · qbox / qbox-public

02 Apr, 2012 1 commit
- added test directories · b0562812
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1110 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 02, 2012
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31 Mar, 2012 6 commits

spelling · c74ee807

git-svn-id: http://qboxcode.org/svn/qb/trunk@1106 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 31, 2012

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trailing blanks · 8ed5c6e3

git-svn-id: http://qboxcode.org/svn/qb/trunk@1102 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 31, 2012

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removed Id string · 969b4d41

git-svn-id: http://qboxcode.org/svn/qb/trunk@1100 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 31, 2012

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spin polarization added · b490b0d6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1099 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Mar 31, 2012
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removed IntegerMatrix class · 527b1490
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1098 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Mar 31, 2012
527b1490 Browse Files

removed blank lines · cd100b71

git-svn-id: http://qboxcode.org/svn/qb/trunk@1097 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 31, 2012

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28 Mar, 2012 1 commit

rel1_54_6 · b70c6d73

git-svn-id: http://qboxcode.org/svn/qb/trunk@1093 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 28, 2012

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27 Mar, 2012 1 commit
- added USE_DFFTW macro for platforms with dfftw.h · cf097bdc
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1092 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 27, 2012
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20 Mar, 2012 3 commits

1.54.5 candidate · 79f6f5c8

git-svn-id: http://qboxcode.org/svn/qb/trunk@1089 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 20, 2012

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Added TIMING macros. · 7f7fb19e

Reduced max number of iterations in align,ortho_align,riccati


git-svn-id: http://qboxcode.org/svn/qb/trunk@1088 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 20, 2012

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added enthalpy for cell optimization · d5721f1d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1087 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Mar 20, 2012
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15 Mar, 2012 1 commit
- removed underscore in ddot calls · 3c41b507
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1085 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 15, 2012
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10 Mar, 2012 1 commit
- added svn version in output · 1bcea0a5
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1084 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 10, 2012
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08 Mar, 2012 1 commit
- removed print of seed value · 5c616425
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1083 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 08, 2012
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17 Nov, 2011 1 commit
- Fixed bug in serial version · a984b0ba
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1033 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 17, 2011
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29 Sep, 2011 13 commits
- added randomize_r command · 7cc17718
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1019 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- added randomize_r command · a7548a41
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1018 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- removed doc directory since openoffice files cannot be compared (binary) · 864dcd23
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1014 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- Modified to conform to the More-Thuente paper. Simplified interpolation to · 6c4cdaa4
```
use secant rather than polynomial fits. Simplified activation of debug printout.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1013 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- changed initial alpha, bounds on alpha,beta · 4ee7130b
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1012 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- truncate beta if too large · b802e463
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1011 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- added set_alpha_max member · d847fb22
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1010 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- added bounds to alpha, beta · 330e2d17
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1009 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
  330e2d17 Browse Files
- added functions from More-Thuente paper · 0d0b61a1
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1008 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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- added debug print activation · 9802493d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1007 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
  9802493d Browse Files
- Added Polak-Ribiere option. simplified dot product calculations using BLAS. · a9986f22
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1006 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
  a9986f22 Browse Files
- add debug activation · 11e562ef
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1005 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
  11e562ef Browse Files
- check line minimizer status to restart · 305524f1
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1004 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 29, 2011
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28 Sep, 2011 2 commits
- updated debug_print function · cfa22115
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1003 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 28, 2011
  cfa22115 Browse Files
- added test for invalid descent direction · 526912f6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1002 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 28, 2011
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18 Sep, 2011 9 commits
- prepare for 1.54.4 release · ef3a6ed3
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@999 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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- reset release to generic wrk label · 6c891185
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@998 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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- Added synchronization call · 9f4cb3ee
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@997 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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- Added synchronization calls · 5d21a3a6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@996 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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- Added synchronization calls · b21fa4c4
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@995 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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- Added synchronization calls · 3ad11755
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@994 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
  3ad11755 Browse Files
- Added synchronization calls · c1aeed37
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@993 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
  c1aeed37 Browse Files
- Added synchronization of atomset · da23814f
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@992 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
  da23814f Browse Files
- Added sync functions · b6a45309
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@991 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
  b6a45309 Browse Files