Commits · 9f9ac8d3c431f2a9323709bd6781752a936466bd · tsoc / openmm

28 Jul, 2020 1 commit
- States can save integrator parameters · 694c3930
  peastman authored Jul 28, 2020
  
  694c3930
24 Jun, 2020 1 commit
- Serialization and tests for periodic 2D/3D tabulated functions · 5696464c
  Charlles Abreu authored Jun 24, 2020
  
  5696464c
04 Apr, 2020 1 commit
- Version 2 of Continuous1DFunction serialization · 1d5ee1a3
  Charlles Abreu authored Apr 04, 2020
  
  1d5ee1a3
31 Mar, 2020 1 commit
- Direct value return in Continuous1DFunction.getPeriodic · a39e5bee
  Charlles Abreu authored Mar 31, 2020
  
  a39e5bee
28 Mar, 2020 3 commits
- Continuous1DFunction with setPeriodic and getPeriodic methods · 8097a594
  Charlles Abreu authored Mar 28, 2020
  
  8097a594
- Elimination of ContinuousPeriodic1DFunction class · fbfc55a5
  Charlles Abreu authored Mar 28, 2020
  
  fbfc55a5
- Periodic 1D tabulated function via optional argument · eacb6882
  Charlles Abreu authored Mar 28, 2020
  
  eacb6882
26 Mar, 2020 1 commit
- Implementation of ContinuousPeriodic1DFunction: serialization · f48120f9
  Charlles Abreu authored Mar 25, 2020
  
  f48120f9
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
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
07 Mar, 2017 1 commit
- Use C++11 style loops · 88313407
  peastman authored Mar 06, 2017
  
  88313407
26 Jan, 2017 1 commit
- More updates to dispersion PME · c9fcabb5
  Peter Eastman authored Jan 26, 2017
  
  c9fcabb5
04 Oct, 2016 1 commit
- 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
03 Sep, 2015 1 commit
- Added openmmVersion attribute to serialized XML files · 19991c7e
  peastman authored Sep 03, 2015
  
  19991c7e
24 Feb, 2015 1 commit
- Avoid throwing exceptions internally when serializing States · e18eb785
  peastman authored Feb 23, 2015
  
  e18eb785
13 Feb, 2015 1 commit
- Updated to latest asmjit, which supports 32 bit mode · 01da1b51
  peastman authored Feb 12, 2015
  
  01da1b51
10 Feb, 2015 1 commit
- Replaced TinyXML with irrXML · 8aff3b74
  Peter Eastman authored Feb 10, 2015
  
  8aff3b74
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