Commits · 79ed6274f7750201c08dbc66da29c0890bae0ec6 · tsoc / openmm

15 Nov, 2019 1 commit
- Apply more cleanup after last review round. · 79ed6274
  Andy Simmonett authored Nov 15, 2019
  
  79ed6274
12 Nov, 2019 1 commit
- Add CUDA and OpenCL hardwall constraints and Drude integration with serialization · 7f1dd6a3
  Andy Simmonett authored Nov 12, 2019
  
  7f1dd6a3
04 Nov, 2019 1 commit
- Small fix for travis, make NHC public and add serialization code · 5cef29ce
  Andy Simmonett authored Nov 04, 2019
  
  5cef29ce
10 Sep, 2019 1 commit
- Added max step size option to variable step size integrators · 0620a02f
  peastman authored Sep 10, 2019
  
  0620a02f
11 Jul, 2018 1 commit
- Global parameters for NonbondedForce are explicitly defined · dbeb0c22
  peastman authored Jul 11, 2018
  
  dbeb0c22
09 Jul, 2018 1 commit
- Serialization of parameter offsets · 6aa09a5a
  peastman authored Jul 09, 2018
  
  6aa09a5a
24 Jan, 2018 1 commit
- Implemented serialization for RMSDForce · f6a8d1ea
  Peter Eastman authored Jan 23, 2018
  
  f6a8d1ea
14 Jul, 2017 1 commit
- API and reference implementation of LocalCoordinatesSite depending on arbitrary particles · 26809372
  peastman authored Jul 14, 2017
  
  26809372
16 Jun, 2017 1 commit
- Serialization for CustomCVForce · f803ce45
  Peter Eastman authored Jun 16, 2017
  
  f803ce45
18 May, 2017 1 commit
- Serialization of tabulated functions for CustomIntegrator · 212e8367
  peastman authored May 18, 2017
  
  212e8367
26 Jan, 2017 1 commit
- More updates to dispersion PME · c9fcabb5
  Peter Eastman authored Jan 26, 2017
  
  c9fcabb5
05 Oct, 2016 2 commits
- Fix indent · 171f3a26
  Kyle Beauchamp authored Oct 04, 2016
  
  171f3a26
- Add workaround for xml alphabetization issue, print exceptions in TestSerializeIntegrator · 299e5896
  Kyle Beauchamp authored Oct 04, 2016
  
  299e5896
04 Oct, 2016 2 commits
- Edit global compute · 0dd0795d
  Kyle Beauchamp authored Oct 03, 2016
  
  0dd0795d
- Add support for customIntegrator serialization and test · 3c2a3b1f
  Kyle Beauchamp authored Oct 03, 2016
  
  3c2a3b1f
09 Aug, 2016 1 commit
- Implemented serialization of GayBerneForce · 5f1c5e19
  peastman authored Aug 09, 2016
  
  5f1c5e19
13 Jul, 2016 1 commit
- Serialization of parameter derivatives · df07fbe9
  peastman authored Jul 13, 2016
  
  df07fbe9
06 Jul, 2016 1 commit
- Continuing to implement derivatives with respect to parameters · 8e01339d
  peastman authored Jul 06, 2016
  
  8e01339d
21 Apr, 2016 1 commit
- Changed mechanism for setting barostat temperature · 50fe7be0
  Peter Eastman authored Apr 21, 2016
  
  50fe7be0
15 Apr, 2016 1 commit
- Serialization works for periodic boundary conditions on bonded forces · 8f1f8af4
  peastman authored Apr 15, 2016
  
  8f1f8af4
14 Jan, 2016 1 commit
- Fixed a bug in serializing CustomCentroidBondForce · 202c24d9
  peastman authored Jan 14, 2016
  
  202c24d9
14 Dec, 2015 1 commit
- Added serialization proxy for CustomCentroidBondForce · eb943ace
  peastman authored Dec 14, 2015
  
  eb943ace
19 Nov, 2015 1 commit
- Deleted GBVIForce · 14e78600
  Peter Eastman authored Nov 19, 2015
  
  14e78600
04 Nov, 2015 1 commit
- Finished implementing CompoundIntegrator · 5fa6fbc1
  Peter Eastman authored Nov 04, 2015
  
  5fa6fbc1
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
12 Aug, 2015 1 commit
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
27 Jul, 2015 1 commit
- Implemented cloning of objects by serialization · a707b2b4
  peastman authored Jul 27, 2015
  
  a707b2b4
24 Feb, 2015 1 commit
- Avoid throwing exceptions internally when serializing States · e18eb785
  peastman authored Feb 23, 2015
  
  e18eb785
13 Oct, 2014 1 commit
- Setting surface area energy works with serialization · ead929de
  peastman authored Oct 13, 2014
  
  ead929de
06 Oct, 2014 1 commit
- Serialization support for MonteCarloMembraneBarostat and MonteCarloAnisotropicBarostat · 3439d873
  peastman authored Oct 06, 2014
  
  3439d873
05 Sep, 2014 1 commit
- Added serialization support for CustomManyParticleForce · 1515e2bc
  peastman authored Sep 05, 2014
  
  1515e2bc
23 Jul, 2014 1 commit
- Preliminary support for Chrome portable native client · 35041ae1
  peastman authored Jul 23, 2014
  
  35041ae1
15 Apr, 2014 1 commit
- Include force groups when serializing forces · ede48b85
  peastman authored Apr 15, 2014
  
  ede48b85
14 Apr, 2014 1 commit
- Cleanup to the recent serialization code changes · 7a6f4b2f
  peastman authored Apr 14, 2014
  
  7a6f4b2f
12 Apr, 2014 5 commits
- Added missing serialization of PME parameters alpha, nx, ny, nz for NonbondedForce. · d0186cb2
  John Chodera (MSKCC) authored Apr 12, 2014
  
  d0186cb2
- Fixed same issue in NonbondedForce serialization. · 6d036495
  John Chodera (MSKCC) authored Apr 12, 2014
  
  6d036495
- Removed code left over from debugging. · 8cd01209
  John Chodera (MSKCC) authored Apr 12, 2014
  
  8cd01209
- Added serialization of more properties, as well as unit test extensions for these additions. · f8c52d1b
  John Chodera (MSKCC) authored Apr 12, 2014
  
  f8c52d1b
- Updated tests of serialization of CustomNonbondedForce, though test omits... · 4255709b
  John Chodera (MSKCC) authored Apr 12, 2014
```
Updated tests of serialization of CustomNonbondedForce, though test omits comparison of interaction group sets since I couldn't figure out how to do that.
```
  4255709b
31 Jan, 2014 1 commit
- Implemented serialization for TabulatedFunctions · 75c9f3d5
  peastman authored Jan 31, 2014
  
  75c9f3d5