Commits · 696ac7eb2db5671e0bc768764d4bfd6d41133f59 · qbox / qbox-public

08 Apr, 2012 10 commits

merged hfb branch, enabled spin · 696ac7eb

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1120 cba15fb0-1239-40c8-b417-11db7ca47a34

696ac7eb

removed unneeded string include · 2347fcf9

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1119 cba15fb0-1239-40c8-b417-11db7ca47a34

2347fcf9

merged hfb branch · ea179c99

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1118 cba15fb0-1239-40c8-b417-11db7ca47a34

ea179c99

print basis in task order · babf89ba

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1117 cba15fb0-1239-40c8-b417-11db7ca47a34

babf89ba

merged hfb branch · ef580b90

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1116 cba15fb0-1239-40c8-b417-11db7ca47a34

ef580b90

merged hfb branch · 3d1dd7d1

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1115 cba15fb0-1239-40c8-b417-11db7ca47a34

3d1dd7d1

added cstdlib include for drand48 · b54d90aa

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1114 cba15fb0-1239-40c8-b417-11db7ca47a34

b54d90aa

merged hfb branch · 2fc8e298

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1113 cba15fb0-1239-40c8-b417-11db7ca47a34

2fc8e298

merged hfb branch · 5b959949

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1112 cba15fb0-1239-40c8-b417-11db7ca47a34

5b959949

removed unneeded Context class declaration · b54dc175
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1111 cba15fb0-1239-40c8-b417-11db7ca47a34
```
b54dc175

02 Apr, 2012 1 commit

added test directories · b0562812

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1110 cba15fb0-1239-40c8-b417-11db7ca47a34

b0562812

31 Mar, 2012 6 commits

spelling · c74ee807

Francois Gygi authored 13 years ago

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

c74ee807

trailing blanks · 8ed5c6e3

Francois Gygi authored 13 years ago

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

8ed5c6e3

removed Id string · 969b4d41

Francois Gygi authored 13 years ago

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

969b4d41

spin polarization added · b490b0d6

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1099 cba15fb0-1239-40c8-b417-11db7ca47a34

b490b0d6

removed IntegerMatrix class · 527b1490

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1098 cba15fb0-1239-40c8-b417-11db7ca47a34

527b1490

removed blank lines · cd100b71

Francois Gygi authored 13 years ago

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

cd100b71

28 Mar, 2012 1 commit

rel1_54_6 · b70c6d73

Francois Gygi authored 13 years ago

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

b70c6d73

27 Mar, 2012 1 commit
- added USE_DFFTW macro for platforms with dfftw.h · cf097bdc
  Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1092 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  cf097bdc
20 Mar, 2012 3 commits

1.54.5 candidate · 79f6f5c8

Francois Gygi authored 13 years ago

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

79f6f5c8

Added TIMING macros. · 7f7fb19e

Francois Gygi authored 13 years ago

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

7f7fb19e

added enthalpy for cell optimization · d5721f1d

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1087 cba15fb0-1239-40c8-b417-11db7ca47a34

d5721f1d

15 Mar, 2012 1 commit

removed underscore in ddot calls · 3c41b507

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1085 cba15fb0-1239-40c8-b417-11db7ca47a34

3c41b507

10 Mar, 2012 1 commit

added svn version in output · 1bcea0a5

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1084 cba15fb0-1239-40c8-b417-11db7ca47a34

1bcea0a5

08 Mar, 2012 1 commit

removed print of seed value · 5c616425

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1083 cba15fb0-1239-40c8-b417-11db7ca47a34

5c616425

17 Nov, 2011 1 commit

Fixed bug in serial version · a984b0ba

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1033 cba15fb0-1239-40c8-b417-11db7ca47a34

a984b0ba

29 Sep, 2011 13 commits

added randomize_r command · 7cc17718

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1019 cba15fb0-1239-40c8-b417-11db7ca47a34

7cc17718

added randomize_r command · a7548a41

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1018 cba15fb0-1239-40c8-b417-11db7ca47a34

a7548a41

removed doc directory since openoffice files cannot be compared (binary) · 864dcd23
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1014 cba15fb0-1239-40c8-b417-11db7ca47a34
```
864dcd23

Modified to conform to the More-Thuente paper. Simplified interpolation to · 6c4cdaa4

Francois Gygi authored 13 years ago

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

6c4cdaa4

changed initial alpha, bounds on alpha,beta · 4ee7130b
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1012 cba15fb0-1239-40c8-b417-11db7ca47a34
```
4ee7130b

truncate beta if too large · b802e463

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1011 cba15fb0-1239-40c8-b417-11db7ca47a34

b802e463

added set_alpha_max member · d847fb22

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1010 cba15fb0-1239-40c8-b417-11db7ca47a34

d847fb22

added bounds to alpha, beta · 330e2d17

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1009 cba15fb0-1239-40c8-b417-11db7ca47a34

330e2d17

added functions from More-Thuente paper · 0d0b61a1
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1008 cba15fb0-1239-40c8-b417-11db7ca47a34
```
0d0b61a1

added debug print activation · 9802493d

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1007 cba15fb0-1239-40c8-b417-11db7ca47a34

9802493d

Added Polak-Ribiere option. simplified dot product calculations using BLAS. · a9986f22
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1006 cba15fb0-1239-40c8-b417-11db7ca47a34
```
a9986f22

add debug activation · 11e562ef

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1005 cba15fb0-1239-40c8-b417-11db7ca47a34

11e562ef

check line minimizer status to restart · 305524f1
Francois Gygi authored 13 years ago
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1004 cba15fb0-1239-40c8-b417-11db7ca47a34
```
305524f1

28 Sep, 2011 1 commit

updated debug_print function · cfa22115

Francois Gygi authored 13 years ago

git-svn-id: http://qboxcode.org/svn/qb/trunk@1003 cba15fb0-1239-40c8-b417-11db7ca47a34

cfa22115