Commits · 38aa814d55b4ad352b1fc2d84c1517461e4d350e · qbox / qbox-public

01 Apr, 2011 1 commit

Added IntegerMatrix, permutations · 38aa814d

Francois Gygi authored Apr 01, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@899 cba15fb0-1239-40c8-b417-11db7ca47a34

38aa814d

17 Mar, 2011 2 commits

removed unused var · cda6e3e5

Francois Gygi authored Mar 17, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@898 cba15fb0-1239-40c8-b417-11db7ca47a34

cda6e3e5

moved header dependencies to .C file · 6d5c1e97

Francois Gygi authored Mar 17, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@897 cba15fb0-1239-40c8-b417-11db7ca47a34

6d5c1e97

01 Mar, 2011 2 commits

added #include <cstring> for memset · eae40129

Francois Gygi authored Mar 01, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@888 cba15fb0-1239-40c8-b417-11db7ca47a34

eae40129

added #include <cstring> for memset · 2e03df32

Francois Gygi authored Mar 01, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@887 cba15fb0-1239-40c8-b417-11db7ca47a34

2e03df32

26 Feb, 2011 1 commit

formatting · e1c0f4e3

Francois Gygi authored Feb 26, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@886 cba15fb0-1239-40c8-b417-11db7ca47a34

e1c0f4e3

24 Feb, 2011 1 commit

Check that only the k=0 point is used · 4e0d3995

Francois Gygi authored Feb 24, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@883 cba15fb0-1239-40c8-b417-11db7ca47a34

4e0d3995

15 Feb, 2011 1 commit

fixed bug in empty_row_error · a65010d4

Francois Gygi authored Feb 15, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@882 cba15fb0-1239-40c8-b417-11db7ca47a34

a65010d4

13 Feb, 2011 1 commit
- added print err code in SlaterDet::write · b37dca04
  Francois Gygi authored Feb 13, 2011
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@879 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  b37dca04
09 Feb, 2011 2 commits

rel1_52_4. Fixed bug 23 · af64f3bb

Francois Gygi authored Feb 09, 2011


git-svn-id: http://qboxcode.org/svn/qb/trunk@877 cba15fb0-1239-40c8-b417-11db7ca47a34

af64f3bb

add update_occ in set_nempty. Fix bug 23. · ae87ac55
Francois Gygi authored Feb 09, 2011
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@876 cba15fb0-1239-40c8-b417-11db7ca47a34
```
ae87ac55

05 Jan, 2011 1 commit
- Include PLTFLAGS when running makedepend · 607bc29a
  Francois Gygi authored Jan 05, 2011
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@847 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  607bc29a
10 Dec, 2010 6 commits

Introduced USE_UUID macro · af3e59e8

Francois Gygi authored Dec 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@846 cba15fb0-1239-40c8-b417-11db7ca47a34

af3e59e8

1.52.0, v1 · ad03bfb3

Francois Gygi authored Dec 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@845 cba15fb0-1239-40c8-b417-11db7ca47a34

ad03bfb3

Documentation directory · d85ecb32

Francois Gygi authored Dec 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@844 cba15fb0-1239-40c8-b417-11db7ca47a34

d85ecb32

rel1_52_3 · e3f581e2

Francois Gygi authored Dec 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@840 cba15fb0-1239-40c8-b417-11db7ca47a34

e3f581e2

rel1_52_3 · 0fbada87

Francois Gygi authored Dec 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@839 cba15fb0-1239-40c8-b417-11db7ca47a34

0fbada87

Added #if XERCESC_3 for compilation with Xerces-C 3.x.x · b5782f2a
Francois Gygi authored Dec 10, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@838 cba15fb0-1239-40c8-b417-11db7ca47a34
```
b5782f2a

01 Dec, 2010 2 commits

Initial revision · 2a632885

Francois Gygi authored Dec 01, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@834 cba15fb0-1239-40c8-b417-11db7ca47a34

2a632885

k-point generator · b0a0f037

Francois Gygi authored Dec 01, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@833 cba15fb0-1239-40c8-b417-11db7ca47a34

b0a0f037

17 Nov, 2010 2 commits
- Added copyright, modified comments · fde6f113
  Francois Gygi authored Nov 17, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@832 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  fde6f113
- Corrected comments and README file for new command line arguments · fffa636c
  Francois Gygi authored Nov 17, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@831 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  fffa636c
10 Nov, 2010 1 commit

removed debug print · 4d8305e5

Francois Gygi authored Nov 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@830 cba15fb0-1239-40c8-b417-11db7ca47a34

4d8305e5

09 Nov, 2010 3 commits

initial revision · 45bc8761

Francois Gygi authored Nov 09, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@829 cba15fb0-1239-40c8-b417-11db7ca47a34

45bc8761

initial revision · 5a09bfec

Francois Gygi authored Nov 09, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@828 cba15fb0-1239-40c8-b417-11db7ca47a34

5a09bfec

Qbox utilities · fb82c896

Francois Gygi authored Nov 09, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@827 cba15fb0-1239-40c8-b417-11db7ca47a34

fb82c896

04 Nov, 2010 1 commit

modif for testreadSample · a82ce850

Francois Gygi authored Nov 04, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@826 cba15fb0-1239-40c8-b417-11db7ca47a34

a82ce850

03 Nov, 2010 6 commits

updated dependecies · 5e1d8057

Francois Gygi authored Nov 03, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@824 cba15fb0-1239-40c8-b417-11db7ca47a34

5e1d8057

rel1_52_2 · 51cbccb8

Francois Gygi authored Nov 03, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@823 cba15fb0-1239-40c8-b417-11db7ca47a34

51cbccb8

Updated help message · dda67b39

Francois Gygi authored Nov 03, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@822 cba15fb0-1239-40c8-b417-11db7ca47a34

dda67b39

rel1_52_2 · bba1a890

Francois Gygi authored Nov 03, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@821 cba15fb0-1239-40c8-b417-11db7ca47a34

bba1a890

Enable reading of sample containing no wavefunctions (atomset only) · d8501dea
Francois Gygi authored Nov 03, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@820 cba15fb0-1239-40c8-b417-11db7ca47a34
```
d8501dea

Disable wf extrapolation if nite > 1 · e9412b6d

Francois Gygi authored Nov 03, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@819 cba15fb0-1239-40c8-b417-11db7ca47a34

e9412b6d

24 Sep, 2010 1 commit

Fixed printing of matrix dimensions · 28195668

Francois Gygi authored Sep 24, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@818 cba15fb0-1239-40c8-b417-11db7ca47a34

28195668

19 Aug, 2010 1 commit
- echo commands in <cmd> </cmd> elements · 47367287
  Francois Gygi authored Aug 19, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@817 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  47367287
12 Jun, 2010 1 commit

Added <eigenset> tag. · c438f033

Francois Gygi authored Jun 12, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@802 cba15fb0-1239-40c8-b417-11db7ca47a34

c438f033

10 May, 2010 4 commits

moved to uuid_str · 4d207370

Francois Gygi authored May 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@799 cba15fb0-1239-40c8-b417-11db7ca47a34

4d207370

added string header · b81829cf

Francois Gygi authored May 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@797 cba15fb0-1239-40c8-b417-11db7ca47a34

b81829cf

print empty row error for all k points. · 8db1cbd9
Francois Gygi authored May 10, 2010
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@796 cba15fb0-1239-40c8-b417-11db7ca47a34
```
8db1cbd9

uuid changed to uuid_str · 5d398488

Francois Gygi authored May 10, 2010


git-svn-id: http://qboxcode.org/svn/qb/trunk@795 cba15fb0-1239-40c8-b417-11db7ca47a34

5d398488