Commits · 5270f8585e917ae21c66ad6ae0f8701ff7c37071 · tsoc / openmm

27 May, 2020 1 commit
- Added Integrator.setIntegrationForceGroups() · 4a30156a
  peastman authored May 27, 2020
  
  4a30156a
06 Feb, 2019 1 commit
- Improved behavior of energy minimizer · a515a27a
  Peter Eastman authored Feb 06, 2019
  
  a515a27a
12 Jan, 2018 1 commit
- LocalEnergyMinimizer switches to CPU if forces are getting clipped · 07d005fa
  peastman authored Jan 12, 2018
  
  07d005fa
10 Feb, 2017 1 commit
- Fixed memory leaks when minimizer fails · df6bbb23
  peastman authored Feb 10, 2017
  
  df6bbb23
20 Jun, 2016 1 commit
- Fixed compilation errors on Windows · b518ad19
  peastman authored Jun 20, 2016
  
  b518ad19
22 Apr, 2016 1 commit
- Improved minimization with strict constraint tolerance · cce10705
  peastman authored Apr 22, 2016
  
  cce10705
15 Apr, 2013 1 commit
- Context constructor now uses const System&, guaranteeing that System won't be modified. · 0307a0db
  Yutong Zhao authored Apr 15, 2013
  
  0307a0db
16 Mar, 2012 1 commit
- Made constrained energy minimization hopefully more robust · 420fac9c
  Peter Eastman authored Mar 16, 2012
  
  420fac9c
11 Feb, 2012 1 commit
- LocalEnergyMinimizer does not move massless particles · 285a4d88
  Peter Eastman authored Feb 11, 2012
  
  285a4d88
31 Jan, 2012 1 commit
- LocalEnergyMinimizer works with virtual sites · f30ddfa4
  Peter Eastman authored Jan 31, 2012
  
  f30ddfa4
18 Nov, 2011 1 commit
- Energy minimizer is more robust when constraints are present · ec05f1cd
  Peter Eastman authored Nov 18, 2011
  
  ec05f1cd
15 Jul, 2010 1 commit
- MSVC does not support C99 struct initialization syntax. Workaround. · 80a36e4c
  Christopher Bruns authored Jul 15, 2010
  
  80a36e4c
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
09 Jul, 2010 1 commit
- Created LocalEnergyMinimizer · 4b061bed
  Peter Eastman authored Jul 09, 2010
  
  4b061bed
20 Apr, 2010 1 commit
- Started making some improvements to installer behavior. · 86fc3001
  Christopher Bruns authored Apr 20, 2010
```
Including installing Test<Platform>HarmonicBondForce tests.
```
  86fc3001
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
17 Apr, 2009 1 commit

Modified the API for lots of classes so that the number of... · 64493da6

Peter Eastman authored Apr 17, 2009

Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.

64493da6

22 Oct, 2008 1 commit
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
25 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (implemented kinetic energy... · 85da5e0f
  Peter Eastman authored Apr 25, 2008
```
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
```
  85da5e0f
22 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (kernels for StandardMMForceField are done). · 2a530882
  Peter Eastman authored Apr 22, 2008
  
  2a530882
17 Apr, 2008 1 commit

Created a test case for StandardMMForceFieldImpl's findExclusions() method. ... · 27a2456b

Peter Eastman authored Apr 17, 2008

Created a test case for StandardMMForceFieldImpl's findExclusions() method.  Fixed some bugs that it found.  Created a CMake script and configured it for building and running test cases.

27a2456b

16 Apr, 2008 1 commit
- Reorganization of the OpenMM source code · 0e879806
  Peter Eastman authored Apr 16, 2008
  
  0e879806