Commits · ad7acc6687076a32a26045b121aed7eb07157aa9 · tsoc / openmm

08 Oct, 2019 1 commit
- OpenCL implementation of BAOABLangevinIntegrator · ad7acc66
  peastman authored Oct 08, 2019
  
  ad7acc66
23 Jan, 2018 1 commit
- OpenCL implementation of RMSDForce · 6e29cb3f
  peastman authored Jan 23, 2018
  
  6e29cb3f
14 Jun, 2017 1 commit
- Began creating OpenCL implementation of CustomCVForce · 48378da7
  peastman authored Jun 14, 2017
  
  48378da7
20 May, 2016 1 commit
- Began creating OpenCL implementation of GayBerneForce · 69cab567
  peastman authored May 19, 2016
  
  69cab567
02 Sep, 2015 1 commit
- Created OpenCL version of CustomCentroidBondForce · 7893f59a
  peastman authored Sep 02, 2015
  
  7893f59a
03 Sep, 2014 1 commit
- Created OpenCL version of CustomManyParticleForce (not yet fully debugged) · 6f7dee30
  peastman authored Sep 03, 2014
  
  6f7dee30
25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
09 May, 2012 1 commit
- Created OpenCL implementation of CustomCompoundBondForce · 0e6cbcea
  Peter Eastman authored May 09, 2012
  
  0e6cbcea
31 Jan, 2012 1 commit
- LocalEnergyMinimizer works with virtual sites · f30ddfa4
  Peter Eastman authored Jan 31, 2012
  
  f30ddfa4
06 Jan, 2012 1 commit
- Beginnings of OpenCL implementation of CustomIntegrator · c7c13602
  Peter Eastman authored Jan 06, 2012
  
  c7c13602
28 Apr, 2011 1 commit
- Bug fix · f9dc3dd0
  Peter Eastman authored Apr 28, 2011
  
  f9dc3dd0
26 Apr, 2011 1 commit
- Use a separate host thread for each device · 6e3526b4
  Peter Eastman authored Apr 26, 2011
  
  6e3526b4
23 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · b51a1b3c
  Peter Eastman authored Apr 23, 2011
  
  b51a1b3c
22 Apr, 2011 1 commit
- Continuing to implement multi-GPU support · 5a89d510
  Peter Eastman authored Apr 22, 2011
  
  5a89d510
21 Apr, 2011 1 commit
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
19 Jul, 2010 1 commit
- Created OpenCL implementation of CMAPTorsionForce · 258fd0f1
  Peter Eastman authored Jul 19, 2010
  
  258fd0f1
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
14 May, 2010 1 commit
- Fixed problems in MonteCarloBarostat and created OpenCL implementation · 70ca43ad
  Peter Eastman authored May 14, 2010
  
  70ca43ad
01 Apr, 2010 1 commit

All platforms now handle nonbonded exceptions in a consistent way (they ignore... · b97ff259

Peter Eastman authored Apr 01, 2010

All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions).  Also started OpenCL implementation of CustomHbondForce.

b97ff259

02 Feb, 2010 1 commit
- Created OpenCL implementation of CustomTorsionForce · a072c113
  Peter Eastman authored Feb 02, 2010
  
  a072c113
30 Jan, 2010 1 commit
- Created OpenCL version of CustomAngleForce · 4af689c5
  Peter Eastman authored Jan 30, 2010
  
  4af689c5
05 Dec, 2009 1 commit
- Beginnings of OpenCL implementation of CustomGBForce · 51fc3bd2
  Peter Eastman authored Dec 05, 2009
  
  51fc3bd2
11 Nov, 2009 1 commit
- Created OpenCL implementation of CustomExternalForce. Also fixed a bug. · 67b261f6
  Peter Eastman authored Nov 11, 2009
  
  67b261f6
10 Nov, 2009 1 commit
- Created OpenCL implementation of CustomBondForce · 1f6802f9
  Peter Eastman authored Nov 10, 2009
  
  1f6802f9
06 Nov, 2009 2 commits
- Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs. · cc5467e7
  Peter Eastman authored Nov 06, 2009
  
  cc5467e7
- Created (not yet fully debugged) OpenCL implementation of... · 3cf5495a
  Peter Eastman authored Nov 06, 2009
```
Created (not yet fully debugged) OpenCL implementation of VariableVerletIntegrator and VariableLangevinIntegrator.
```
  3cf5495a
05 Nov, 2009 1 commit
- Created OpenCL implementation of CMMotionRemover. Also made a few optimizations. · f2391672
  Peter Eastman authored Nov 05, 2009
  
  f2391672
30 Oct, 2009 1 commit
- Began OpenCL implementation of CustomNonbondedForce · 84d482e2
  Peter Eastman authored Oct 30, 2009
  
  84d482e2
10 Oct, 2009 1 commit
- Began OpenCL implementation of GBSA · ffab317b
  Peter Eastman authored Oct 10, 2009
  
  ffab317b
01 Oct, 2009 1 commit
- Began implementing nonbonded forces · 3976ad91
  Peter Eastman authored Oct 01, 2009
  
  3976ad91
29 Sep, 2009 1 commit
- Created OpenCL implementations of SETTLE and LangevinIntegrator (not yet fully debugged). · ebbc40e3
  Peter Eastman authored Sep 29, 2009
  
  ebbc40e3
25 Sep, 2009 3 commits
- Created OpenCL implementations of VerletIntegrator and SHAKE. · efc1083e
  Peter Eastman authored Sep 25, 2009
  
  efc1083e
- Created OpenCL implementation of RBTorsionForce. · 695c066f
  Peter Eastman authored Sep 25, 2009
  
  695c066f
- Created OpenCL implementations of HarmonicBondForce, HarmonicAngleForce, and PeriodicTorsionForce. · 0634e3cc
  Peter Eastman authored Sep 25, 2009
  
  0634e3cc
24 Sep, 2009 1 commit
- Continuing implementation of OpenCL platform. · ad4e1203
  Peter Eastman authored Sep 24, 2009
  
  ad4e1203
22 Sep, 2009 1 commit
- Eliminated Stream and related classes, replacing their functionality with UpdateStateDataKernel. · f5aebbd4
  Peter Eastman authored Sep 22, 2009
  
  f5aebbd4
19 Sep, 2009 1 commit
- Restructured how force and energy computations are done to make it easier to... · 25af59f8
  Peter Eastman authored Sep 19, 2009
```
Restructured how force and energy computations are done to make it easier to write plugins for the CUDA platform
```
  25af59f8
18 Sep, 2009 1 commit
- Continuing implementation of OpenCL platform · b3781c23
  Peter Eastman authored Sep 18, 2009
  
  b3781c23
17 Sep, 2009 1 commit
- Very beginnings of support for OpenCL · 437ca02f
  Peter Eastman authored Sep 17, 2009
  
  437ca02f