Commits · 00e2c6a3909950d6fa32bdbc5ef071751d110157 · tsoc / openmm

21 Mar, 2019 1 commit
- Support atan2() in custom expressions · 00e2c6a3
  peastman authored Mar 21, 2019
  
  00e2c6a3
22 Feb, 2019 1 commit
- Fixed bug in vector operations in CustomIntegrator on CUDA · ddcd2f66
  Peter Eastman authored Feb 22, 2019
  
  ddcd2f66
30 Oct, 2018 1 commit
- Use separate events for different stream synchronizations · f03d9ae2
  Peter Eastman authored Oct 30, 2018
  
  f03d9ae2
23 Jul, 2018 1 commit
- Optimized CustomCVForce.updateParametersInContext() · fc79cc94
  peastman authored Jul 23, 2018
  
  fc79cc94
17 Jul, 2018 1 commit
- Added CustomCVForce.updateParametersInContext() · 9e0f5f3d
  peastman authored Jul 17, 2018
  
  9e0f5f3d
12 Jul, 2018 1 commit
- Optimizations to PME in CUDA · 1b12ede8
  Peter Eastman authored Jul 12, 2018
  
  1b12ede8
03 Jul, 2018 1 commit
- Code cleanup to CUDA platform · b441c4a7
  Peter Eastman authored Jul 03, 2018
  
  b441c4a7
26 Jun, 2018 1 commit
- CUDA implementation of parameter offsets for NonbondedForce · 7c6f0b4b
  Peter Eastman authored Jun 26, 2018
  
  7c6f0b4b
29 May, 2018 2 commits
- Fixed errors · 95dc4dc1
  Peter Eastman authored May 29, 2018
  
  95dc4dc1
- Support multiple NonbondedForces in one System · 122c84d2
  peastman authored May 29, 2018
  
  122c84d2
09 May, 2018 1 commit
- Bug fixes to vector expressions · fdc59e96
  Peter Eastman authored May 09, 2018
  
  fdc59e96
04 May, 2018 1 commit
- CUDA implementation of vector functions for CustomIntegrator · 4c28df55
  Peter Eastman authored May 04, 2018
  
  4c28df55
03 May, 2018 1 commit
- Minor optimizations · f3c55c28
  peastman authored May 03, 2018
  
  f3c55c28
12 Mar, 2018 1 commit
- CustomNonbondedForce with interaction groups uses neighbor list in CUDA · 7639d0bd
  Peter Eastman authored Mar 12, 2018
  
  7639d0bd
14 Feb, 2018 2 commits
- Finished converting CudaArrays. · 372f1724
  Peter Eastman authored Feb 14, 2018
  
  372f1724
- Continuing to convert CudaArrays. · f15f591b
  Peter Eastman authored Feb 14, 2018
  
  f15f591b
12 Feb, 2018 1 commit
- Began converting CudaArrays. · b8c86406
  Peter Eastman authored Feb 12, 2018
  
  b8c86406
02 Feb, 2018 1 commit
- Added missing Windows exports · 1831e58d
  Peter Eastman authored Feb 02, 2018
  
  1831e58d
24 Jan, 2018 1 commit
- CUDA implementation of RMSDForce · f4dc3110
  Peter Eastman authored Jan 24, 2018
  
  f4dc3110
06 Sep, 2017 1 commit
- Fixed error using interaction groups with parameter derivatives · 9bdab7b6
  peastman authored Sep 06, 2017
  
  9bdab7b6
18 Jul, 2017 1 commit
- CUDA implementation of LocalCoordinatesSite depending on arbitrary particles · b2222de3
  Peter Eastman authored Jul 18, 2017
  
  b2222de3
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
16 Jun, 2017 1 commit
- CUDA implementation of CustomCVForce · f995aceb
  Peter Eastman authored Jun 16, 2017
  
  f995aceb
26 May, 2017 1 commit
- OpenCL and CUDA CustomIntegrator avoid duplicate computations · 6a0e1bd5
  Peter Eastman authored May 26, 2017
  
  6a0e1bd5
18 May, 2017 1 commit
- CUDA implementation of tabulated functions for CustomIntegrator · 85c0f767
  Peter Eastman authored May 18, 2017
  
  85c0f767
15 Feb, 2017 2 commits
- Use lambdas for thread pool tasks · 859bfd6c
  peastman authored Feb 15, 2017
  
  859bfd6c
- Optimizations to updateParametersInContext() for CUDA · 2a1e9acf
  Peter Eastman authored Feb 15, 2017
  
  2a1e9acf
08 Feb, 2017 1 commit
- Disable CPU PME when using dispersion PME · 09d22418
  Peter Eastman authored Feb 08, 2017
  
  09d22418
28 Jan, 2017 1 commit
- Fixed bug computing B-spline moduli · e94e4d0a
  Peter Eastman authored Jan 27, 2017
  
  e94e4d0a
25 Jan, 2017 1 commit
- Reduced duplication in the code for Coulomb and LJ PME · f7a102fb
  Peter Eastman authored Jan 25, 2017
  
  f7a102fb
24 Jan, 2017 1 commit
- Cleanup to CUDA dispersion PME code · dbcc494f
  Peter Eastman authored Jan 24, 2017
  
  dbcc494f
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
13 Oct, 2016 1 commit
- Further improvements to pair list · 7c911459
  Peter Eastman authored Oct 13, 2016
  
  7c911459
26 Sep, 2016 1 commit
- Fixed error when CustomIntegrator modifies step size · 9908d249
  Peter Eastman authored Sep 26, 2016
  
  9908d249
14 Sep, 2016 1 commit
- Beginning of implementing fine grained pair list · 5fa4345f
  Peter Eastman authored Sep 14, 2016
  
  5fa4345f
05 Aug, 2016 1 commit
- Prefer nvcc over runtime compiler · 978e3a08
  Peter Eastman authored Aug 05, 2016
  
  978e3a08
01 Aug, 2016 1 commit
- Began CUDA version of GayBerneForce · 222b3bb4
  peastman authored Aug 01, 2016
  
  222b3bb4
29 Jul, 2016 1 commit
- CUDA and OpenCL implementation of parameter derivatives for CustomCentroidBondForce · b90354c9
  Peter Eastman authored Jul 29, 2016
  
  b90354c9