Commits · 402e01b20e9a926130cdeb66424eba3526d29c89 · tsoc / openmm

30 May, 2018 1 commit
- CPU platform supports multiple NonbondedForces · 402e01b2
  peastman authored May 30, 2018
  
  402e01b2
29 May, 2018 3 commits
- Bug fix · 9c5efe5d
  Peter Eastman authored May 29, 2018
  
  9c5efe5d
- Fixed errors · 95dc4dc1
  Peter Eastman authored May 29, 2018
  
  95dc4dc1
- Support multiple NonbondedForces in one System · 122c84d2
  peastman authored May 29, 2018
  
  122c84d2
04 May, 2018 1 commit
- CUDA implementation of vector functions for CustomIntegrator · 4c28df55
  Peter Eastman authored May 04, 2018
  
  4c28df55
02 May, 2018 2 commits
- Bug fixes · cb92103e
  peastman authored May 02, 2018
  
  cb92103e
- OpenCL implementation of vector functions for CustomIntegrator · ff238051
  peastman authored May 02, 2018
  
  ff238051
20 Mar, 2018 1 commit
- Optimizations to updateParametersInContext() · 9fa21b3a
  peastman authored Mar 20, 2018
  
  9fa21b3a
15 Mar, 2018 1 commit
- Optimized initializing interaction groups · e7da5c7b
  peastman authored Mar 15, 2018
  
  e7da5c7b
13 Mar, 2018 1 commit
- Optimized finding duplicate interactions in interaction groups · e4653fb7
  peastman authored Mar 13, 2018
  
  e4653fb7
12 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in CUDA · 7639d0bd
  Peter Eastman authored Mar 12, 2018
  
  7639d0bd
10 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in OpenCL · fb0cc5e7
  peastman authored Mar 09, 2018
  
  fb0cc5e7
09 Feb, 2018 1 commit
- More conversion of OpenCLArrays · b33ee3b0
  peastman authored Feb 08, 2018
  
  b33ee3b0
08 Feb, 2018 1 commit
- Convert OpenCLArray to use RAII · d59b0373
  peastman authored Feb 08, 2018
  
  d59b0373
24 Jan, 2018 2 commits
- Optimizations to RMSDForce · 56b199be
  Peter Eastman authored Jan 24, 2018
  
  56b199be
- More robust against numerical error · 2855d12e
  Peter Eastman authored Jan 24, 2018
  
  2855d12e
23 Jan, 2018 1 commit
- OpenCL implementation of RMSDForce · 6e29cb3f
  peastman authored Jan 23, 2018
  
  6e29cb3f
03 Nov, 2017 1 commit
- Fixed a segfault · 0fc3a50a
  peastman authored Nov 03, 2017
  
  0fc3a50a
06 Sep, 2017 1 commit
- Fixed error using interaction groups with parameter derivatives · 9bdab7b6
  peastman authored Sep 06, 2017
  
  9bdab7b6
03 Jul, 2017 1 commit
- CustomIntegrator avoids extra force computations when UpdateContextState doesn't change them · 717df453
  peastman authored Jul 03, 2017
  
  717df453
19 Jun, 2017 2 commits
- Improved performance of computing sums with CustomIntegrator · ffddfb86
  Peter Eastman authored Jun 19, 2017
  
  ffddfb86
- Sum energy on the GPU · 711c3a5a
  Peter Eastman authored Jun 19, 2017
  
  711c3a5a
15 Jun, 2017 1 commit
- Completed OpenCL implementation of CustomCVForce · aee84c82
  peastman authored Jun 15, 2017
  
  aee84c82
14 Jun, 2017 1 commit
- Began creating OpenCL implementation of CustomCVForce · 48378da7
  peastman authored Jun 14, 2017
  
  48378da7
26 May, 2017 1 commit
- OpenCL and CUDA CustomIntegrator avoid duplicate computations · 6a0e1bd5
  Peter Eastman authored May 26, 2017
  
  6a0e1bd5
24 May, 2017 1 commit
- Bug fix to custom integrator · 897fb788
  Peter Eastman authored May 24, 2017
  
  897fb788
18 May, 2017 3 commits
- CUDA implementation of tabulated functions for CustomIntegrator · 85c0f767
  Peter Eastman authored May 18, 2017
  
  85c0f767
- OpenCL implementation of tabulated functions for CustomIntegrator · e82ace44
  peastman authored May 18, 2017
  
  e82ace44
- Began implementing tabulated functions for CustomIntegrator · 094e6c71
  peastman authored May 18, 2017
  
  094e6c71
03 May, 2017 1 commit
- Added option for CPU PME to be deterministic · b5d4b517
  peastman authored May 03, 2017
  
  b5d4b517
24 Apr, 2017 1 commit
- Bug fixes to CustomHbondForce · a64a5b21
  Peter Eastman authored Apr 24, 2017
  
  a64a5b21
14 Apr, 2017 1 commit
- Fixed bug accessing parameters for CustomHbondForce · 4c17f597
  Peter Eastman authored Apr 14, 2017
  
  4c17f597
03 Mar, 2017 1 commit
- Use C++11 style loops · ab8f1021
  peastman authored Mar 02, 2017
  
  ab8f1021
23 Feb, 2017 1 commit
- Fixed errors · 766f480f
  peastman authored Feb 22, 2017
  
  766f480f
15 Feb, 2017 1 commit
- Use lambdas for thread pool tasks · 859bfd6c
  peastman authored Feb 15, 2017
  
  859bfd6c
14 Feb, 2017 1 commit
- Optimizations to updateParametersInContext() for OpenCL · 67091abf
  Peter Eastman authored Feb 14, 2017
  
  67091abf
08 Feb, 2017 2 commits
- Disable CPU PME when using dispersion PME on OpenCL · 625f6440
  Peter Eastman authored Feb 08, 2017
  
  625f6440
- Created OpenCL implementation of dispersion PME · 5ef1d4eb
  Peter Eastman authored Feb 08, 2017
  
  5ef1d4eb
23 Jan, 2017 1 commit
- Fixed bug applying periodic boundary conditions to interaction groups · 77fc4c17
  Peter Eastman authored Jan 23, 2017
  
  77fc4c17
19 Jan, 2017 1 commit
- Added initial CUDA LJPME code, and modified cpupme plugin to handle LJPME as a standalone method. · 7b66ba19
  Andy Simmonett authored Jan 19, 2017
  
  7b66ba19