Commits · 1344f2e0714dc035d7abf7bc4b4435793da8e7ab · tsoc / openmm

15 Jul, 2021 1 commit
- Allow disabling the direct space calculation in NonbondedForce (#3173) · 1344f2e0
  Peter Eastman authored Jul 15, 2021
  
  1344f2e0
10 Mar, 2021 1 commit
- Added name property to Forces (#3049) · 4c6cf680
  Peter Eastman authored Mar 10, 2021
  
  4c6cf680
28 Jul, 2020 1 commit
- States can save integrator parameters · 694c3930
  peastman authored Jul 28, 2020
  
  694c3930
25 Jun, 2020 1 commit
- Included getPeriodic in tabulated function serialization test · 82bad78d
  Charlles Abreu authored Jun 25, 2020
  
  82bad78d
24 Jun, 2020 3 commits
- Tests for periodic tabulated functions · 112fd213
  Charlles Abreu authored Jun 24, 2020
  
  112fd213
- Serialization and tests for periodic 2D/3D tabulated functions · 5696464c
  Charlles Abreu authored Jun 24, 2020
  
  5696464c
- Elimination of setPeriodic method in tabulated functions · b3176be4
  Charlles Abreu authored Jun 24, 2020
  
  b3176be4
05 Apr, 2020 1 commit
- Test Continous1DFunction serialization with periodic=true · d1be2f1d
  Charlles Abreu authored Apr 05, 2020
  
  d1be2f1d
21 Feb, 2020 1 commit
- NonbondedForce can optionally apply periodic boundary conditions to exceptions · ae07d525
  peastman authored Feb 21, 2020
  
  ae07d525
14 Feb, 2020 1 commit
- Renamed BAOABLangevinIntegrator to LangevinMiddleIntegrator · 65ee8fd7
  Peter Eastman authored Feb 14, 2020
  
  65ee8fd7
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
24 Oct, 2019 1 commit
- make non-primitave types pre increment instead of post increment · c6577ea6
  Frazer Leslie Clews authored Oct 24, 2019
  
  c6577ea6
21 Oct, 2019 1 commit
- Serialization for BAOABLangevinIntegrator · 11a479b0
  peastman authored Oct 21, 2019
  
  11a479b0
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