Commits · 9aaab5a05d633d81c672786afef91f16deed51df · qbox / qbox-public

16 Jan, 2015 1 commit
- Fixed bug in use of mdionic_stepper pointer when atoms_dyn==LOCKED · d72fe507
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1632 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 16, 2015
  d72fe507 Browse File
02 Jan, 2015 2 commits

git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1625 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jan 02, 2015

066ee26c Browse File

merge trunk into efield branch · 235f09b4


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1622 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jan 02, 2015

235f09b4 Browse File

31 Dec, 2014 1 commit

Redefine econst in terms of enthalpy. · b40c251a

Simplify printing of energy using EnergyFunctional print function.


git-svn-id: http://qboxcode.org/svn/qb/branches/efield@1617 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Dec 31, 2014

b40c251a Browse File

30 Sep, 2014 1 commit
- added stepper kinetic energy to econst · 45c7b31e
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1552 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 30, 2014
  45c7b31e Browse File
18 Aug, 2012 1 commit
- Implemented Hartree-Fock stress · 9c12d517
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1253 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 18, 2012
  9c12d517 Browse File
18 Sep, 2011 1 commit
- 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 File
30 Aug, 2011 2 commits
- synchronize atomset if cell moves · 238afbbb
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@961 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 30, 2011
  238afbbb Browse File
- Rewrite of CellStepper class hierarchy, CGOptimizer, LineMinimizer · 9b8446de
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@957 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 30, 2011
  9b8446de Browse File
04 Jun, 2011 1 commit
- Added CG cell stepper to optimize atomic positions and cell simultaneously. · 2a0615be
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@918 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 04, 2011
  2a0615be Browse File
20 Feb, 2010 1 commit

rel1_51_0 · c6074490


git-svn-id: http://qboxcode.org/svn/qb/trunk@764 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Feb 20, 2010

c6074490 Browse File

15 May, 2009 1 commit
- removed unneeded ifdef/endif · df74ec91
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@696 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 15, 2009
  df74ec91 Browse File
08 Sep, 2008 1 commit
- removed trailing blanks · 783c2a3d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@644 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 08, 2008
  783c2a3d Browse File
13 Aug, 2008 1 commit

added copyright header · ff4d6a89


git-svn-id: http://qboxcode.org/svn/qb/trunk@638 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Aug 13, 2008

ff4d6a89 Browse File

15 Apr, 2008 1 commit
- fixed initialization of ekin_ion, temp_ion. · 89f62460
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@603 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 15, 2008
  89f62460 Browse File
05 Apr, 2008 1 commit
- Removed redundant printout of unitcell · dfb790bd
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@591 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 05, 2008
  dfb790bd Browse File
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

79d6edd6 Browse File

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
  cb28c0e6 Browse File
03 Feb, 2008 1 commit
- Added unit_cell to AtomSet · 32e60b21
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@572 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 03, 2008
  32e60b21 Browse File
31 Oct, 2007 1 commit
- create wf velocity if absent · 636f1536
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@525 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 31, 2007
  636f1536 Browse File
19 Oct, 2007 1 commit
- removed trailing blanks in *.[Ch] *.mk Makefile · ce7baae5
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@515 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 19, 2007
  ce7baae5 Browse File
27 Jan, 2007 1 commit
- removed Sample.h dependency · ae688b96
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@482 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  ae688b96 Browse File
16 Sep, 2005 1 commit
- Redesign of constraints. · b305d27b
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@422 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 16, 2005
  b305d27b Browse File
27 Jun, 2005 1 commit
- new IonicStepper logic. · 9b68a022
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@413 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 27, 2005
  9b68a022 Browse File
29 Apr, 2005 1 commit
- accept CP dynamics only if all states doubly occupied · 621a2514
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@391 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 29, 2005
  621a2514 Browse File
28 Oct, 2004 1 commit

added timer map. · 8de3f608


git-svn-id: http://qboxcode.org/svn/qb/trunk@281 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 28, 2004

8de3f608 Browse File

14 Sep, 2004 1 commit

rel1_18_0 · 16e264d0


git-svn-id: http://qboxcode.org/svn/qb/trunk@251 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Sep 14, 2004

16e264d0 Browse File

04 May, 2004 1 commit
- Modified printout of variables when computing stress · 74801531
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@215 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 04, 2004
  74801531 Browse File
03 May, 2004 1 commit
- Fixed bug: ionic velocities not used properly at first step · 929cb664
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@208 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 03, 2004
  929cb664 Browse File
15 Mar, 2004 1 commit
- use confinement if ecuts>0 · bb366378
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@185 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 15, 2004
  bb366378 Browse File
11 Mar, 2004 1 commit
- release 1.13.0 Implemented stress calculation · e229a784
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@181 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 11, 2004
  e229a784 Browse File
04 Feb, 2004 1 commit
- implementation of stress (s-only n-l projectors) · 2ff91c49
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@173 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 04, 2004
  2ff91c49 Browse File
21 Nov, 2003 1 commit
- New classes for the SampleStepper hierarchy · d583b5d3
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@123 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
  d583b5d3 Browse File