Commits · 83611dfae40e8b3a70a87a3094771e43fed29f27 · qbox / qbox-public

12 Mar, 2017 4 commits
- Use sendCmd function to send commands to Qbox instances · 83611dfa
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1916 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 12, 2017
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- Add runtwin.sh bash script for interactive test · 8a99adbb
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1915 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 12, 2017
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- Use PBE potentials added to test/potentials · eeaef820
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1913 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 12, 2017
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- Change to C library calls to use fsync() · 394ad96c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1912 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 12, 2017
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15 Oct, 2016 1 commit
- fix initialization bug · 58c1c173
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1900 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 15, 2016
  58c1c173 Browse Directory
03 Sep, 2016 1 commit
- add xyz2qbox.py script · b7027daf
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1883 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 03, 2016
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01 Sep, 2016 1 commit
- Add qbox_eig.py: extract eigenvalues from output · 4e6fee3f
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1881 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 01, 2016
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17 Aug, 2016 1 commit
- fix redefinition of k variable in loop · 214b40d4
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1870 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 17, 2016
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06 Jul, 2016 1 commit
- Initialize x_name, y_name, z_name with a blank to cover the case where a · cecc3353
```
force is zero during the whole run.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1851 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 06, 2016
  cecc3353 Browse Directory
28 Jun, 2016 3 commits
- qbox_maxforce.sh replaced by qbox_maxforce.py · 8073aaf8
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1846 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 28, 2016
  8073aaf8 Browse Directory
- Use scientific format in qbox_maxforce.py · ee8f4405
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1845 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 28, 2016
  ee8f4405 Browse Directory
- Add qbox_maxforce.py script · 60ab560e
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1844 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 28, 2016
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07 Jun, 2016 1 commit
- add empty line to avoid gnuplot error message in print statement · 1ff61613
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1833 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 07, 2016
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05 Jun, 2016 3 commits
- simplified implementation · 949813b7
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1832 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 05, 2016
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- reimplement using tuples · bc3c46e1
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1831 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 05, 2016
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- add qbox_torsion.py script · 3dca4c16
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1830 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 05, 2016
  3dca4c16 Browse Directory
04 Jun, 2016 1 commit
- add qbox_angle.py script · b7842316
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1829 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 04, 2016
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11 May, 2016 1 commit
- Use local pseudopotential files in init.i rather than URLs · 3c4bb2ae
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1824 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 11, 2016
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12 Apr, 2016 1 commit
- add cstdlib header for drand48, remove trailing blanks · d8236f29
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1821 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 12, 2016
  d8236f29 Browse Directory
12 Mar, 2016 1 commit
- Added QSO python tools qso.py, qso2qbox.py, qso2qe.py · 7a3051e4
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1820 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 12, 2016
  7a3051e4 Browse Directory
28 Feb, 2016 1 commit
- Added URL capability, progressive SAX parser, -all option · 48feca8c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1807 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 28, 2016
  48feca8c Browse Directory
13 Feb, 2016 1 commit
- add qbox_distance.py script · 9caf6859
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1805 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 13, 2016
  9caf6859 Browse Directory
10 Feb, 2016 1 commit
- added -range option to plot scripts · 4874ad14
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1804 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 10, 2016
  4874ad14 Browse Directory
14 Jan, 2016 1 commit
- update egap.sh script · 5fe8d706
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1783 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 14, 2016
  5fe8d706 Browse Directory
07 Jan, 2015 1 commit
- python xyz script with 6 digit precision for positions · d4776225
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1629 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 07, 2015
  d4776225 Browse Directory
23 Sep, 2014 1 commit

fixed calculation with lower part of matrix. · 52ba2abd

added calculation using symmetrized matrix.
added calculation of eigenvectors.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1543 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Sep 23, 2014

52ba2abd Browse Directory

17 Sep, 2014 1 commit

Fixed use of lower part of the dynamical matrix. · 53094b88

Added use of the symmetrized dynamical matrix.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1542 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Sep 17, 2014

53094b88 Browse Directory

02 May, 2014 5 commits
- fixed typo in dynmat arguments · ff1ef928
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1460 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
  ff1ef928 Browse Directory
- use LAPACK function dsyev · c43c9ee1
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1459 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
  c43c9ee1 Browse Directory
- use LAPACK function dsyev · c688e23a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1458 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
  c688e23a Browse Directory
- fixed source path · 0fc8d558
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1457 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
  0fc8d558 Browse Directory
- fixed scalapack call · 82a3d2ef
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1456 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 02, 2014
  82a3d2ef Browse Directory
24 Apr, 2014 1 commit
- Modified output: print MSD value only, not step index · 9e542061
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1453 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 24, 2014
  9e542061 Browse Directory
09 Apr, 2014 1 commit
- add multifile functionality · b550b87c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1452 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 09, 2014
  b550b87c Browse Directory
25 Feb, 2014 1 commit
- upf2qso translation program · 5d871973
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1434 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 25, 2014
  5d871973 Browse Directory
10 Jan, 2014 1 commit
- added -last option · 945ae12a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1425 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 10, 2014
  945ae12a Browse Directory
05 Dec, 2013 4 commits
- added utility shell script · 9f2b5750
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1419 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 05, 2013
  9f2b5750 Browse Directory
- added plot scripts · b7768b66
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1418 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 05, 2013
  b7768b66 Browse Directory
- updated for multiple input files · 97f42347
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1417 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 05, 2013
  97f42347 Browse Directory
- modified to first fold atoms into the WS cell · cb6d8a38
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1416 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 05, 2013
  cb6d8a38 Browse Directory