Commits · c85acb36a151aa97cc51f8686e4cb24035be50a3 · tsoc / openmm

09 Jul, 2013 1 commit
- Begin implementing unit tests for anisotropic barostat. · c85acb36
  Lee-Ping authored Jul 09, 2013
  
  c85acb36
30 Apr, 2013 1 commit
- Fixed example that still depended on the old free energy plugin (see bug 1809) · 4510996e
  Peter Eastman authored Apr 30, 2013
  
  4510996e
17 Apr, 2013 1 commit
- Created simulateGromacs.py example · 5e6d705e
  Peter Eastman authored Apr 17, 2013
  
  5e6d705e
13 Dec, 2012 1 commit
- testInstallation.py is better able to deal with errors · daedcdba
  Peter Eastman authored Dec 13, 2012
  
  daedcdba
24 Apr, 2012 1 commit
- Added a StateDataReporter to the Python examples · 7a45cf24
  Peter Eastman authored Apr 24, 2012
  
  7a45cf24
20 Apr, 2012 1 commit
- Mike Garrahan's fix to the Fortran wrapper for getState() · de366ef7
  Peter Eastman authored Apr 20, 2012
  
  de366ef7
05 Apr, 2012 1 commit
- Restructured examples directory to better match how it gets installed · baa4dcfd
  Peter Eastman authored Apr 05, 2012
  
  baa4dcfd
04 Apr, 2012 1 commit
- Updated which example files get installed · 95aa4823
  Peter Eastman authored Apr 04, 2012
  
  95aa4823
06 Jan, 2012 3 commits
- Minor improvements to test script · ce6af5fd
  Peter Eastman authored Jan 06, 2012
  
  ce6af5fd
- Fixed bug in testInstallation script · 591c5f92
  Peter Eastman authored Jan 06, 2012
  
  591c5f92
- Created testInstallation.py script · 7dfc3aea
  Peter Eastman authored Jan 06, 2012
  
  7dfc3aea
03 Jan, 2012 1 commit
- Python examples only simulate 10,000 time steps instead of 100,000 · 3eff31f2
  Peter Eastman authored Jan 03, 2012
  
  3eff31f2
29 Nov, 2011 1 commit
- John's free energy plugin example · 9f7f9e67
  Mark Friedrichs authored Nov 29, 2011
  
  9f7f9e67
18 Nov, 2011 2 commits
- Updated version number to 4.0 in two files · d5a7dd89
  Peter Eastman authored Nov 18, 2011
  
  d5a7dd89
- Added examples for app · 534fd404
  Peter Eastman authored Nov 18, 2011
  
  534fd404
27 Sep, 2011 1 commit
- Removed obsolete comments about energy not being computed on the GPU · f198f53f
  Peter Eastman authored Sep 27, 2011
  
  f198f53f
29 Jul, 2011 1 commit
- Updated README for 3.1 · a381d94a
  Peter Eastman authored Jul 29, 2011
  
  a381d94a
08 Jul, 2011 2 commits
- Fix for corrupted files · 3dafb4c3
  Mark Friedrichs authored Jul 08, 2011
  
  3dafb4c3
- Update for getState() · bb42a5dd
  Mark Friedrichs authored Jul 08, 2011
  
  bb42a5dd
17 Jun, 2011 1 commit
- Added the enforcePeriodicBox flag to the C and Fortran wrappers · 2b1b486c
  Peter Eastman authored Jun 17, 2011
  
  2b1b486c
31 Mar, 2011 1 commit
- Updated version number and date in README file · 80c4976e
  Peter Eastman authored Mar 31, 2011
  
  80c4976e
15 Jul, 2010 1 commit
- Removed an obsolete comment · 77cdc5f1
  Peter Eastman authored Jul 15, 2010
  
  77cdc5f1
07 May, 2010 1 commit
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
21 Apr, 2010 1 commit
- Install directory now looks much more like actual OpenMM releases. · f7c92bbd
  Christopher Bruns authored Apr 21, 2010
  
  f7c92bbd
12 Sep, 2009 1 commit
- Periodic box size is specified by System rather than NonbondedForce · 15811b7c
  Peter Eastman authored Sep 12, 2009
  
  15811b7c
24 Aug, 2009 1 commit
- Merge up changes from PreviewRelease4 branch, revisions 1600:1621 · 31cd86f8
  Christopher Bruns authored Aug 24, 2009
  
  31cd86f8
19 Aug, 2009 10 commits
- Leave unbuilt C examples in the installation. · 268fdbe2
  Michael Sherman authored Aug 19, 2009
  
  268fdbe2
- Don't build C examples if we're not building wrappers. · 924dee79
  Michael Sherman authored Aug 19, 2009
  
  924dee79
- Fix examples Makefile for Linux. · 1bf94ae2
  Michael Sherman authored Aug 19, 2009
  
  1bf94ae2
- Fix memory leak in C examples. · ce3f7427
  Michael Sherman authored Aug 19, 2009
  
  ce3f7427
- Fix NMakefile for examples. · 38d2bc15
  Michael Sherman authored Aug 19, 2009
  
  38d2bc15
- Fixed Fortran Visual Studio project file to grab module file from OpenMM include directory. · dd9f905a
  Michael Sherman authored Aug 19, 2009
  
  dd9f905a
- C programs no longer need a separate wrapper library to link with. · 5fd032eb
  Michael Sherman authored Aug 19, 2009
  
  5fd032eb
- Minor updates to powerpoint presentation on examples. · 3cfcd746
  Michael Sherman authored Aug 19, 2009
  
  3cfcd746
- Minor changes to CMakeLists.txt files for examples. · 9a985f07
  Michael Sherman authored Aug 19, 2009
  
  9a985f07
- Fixed wrapper generation to work on Windows (mostly inolved dllexport issues). · bcbc4eec
  Michael Sherman authored Aug 19, 2009
```
Deleted all the old hand-generated wrappers.
```
  bcbc4eec
18 Aug, 2009 1 commit
- Fixed errors and warnings under Windows · a1752463
  Peter Eastman authored Aug 18, 2009
  
  a1752463
23 Jul, 2009 3 commits
- Updated examples and snapshot of wrappers to what I think is their final form.... · 8f8f0786
  Michael Sherman authored Jul 23, 2009
```
Updated examples and snapshot of wrappers to what I think is their final form. Fortran no longer uses a RuntimeObjects structure; instead it passes around an opaque handle directly to the Context.
```
  8f8f0786
- Fix Makefile to set gfortran flag that allows lines of any length to... · 6681292d
  Michael Sherman authored Jul 23, 2009
```
Fix Makefile to set gfortran flag that allows lines of any length to accommodate the machine-generated Fortran module.
```
  6681292d
- Fix Makefile to use upgraded wrappers. · 32e98eb2
  Michael Sherman authored Jul 23, 2009
  
  32e98eb2