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
11 Feb, 2019 1 commit
- Bug fix · 588e5540
  Peter Eastman authored Feb 11, 2019
  
  588e5540
09 Feb, 2019 1 commit
- Fixed inconsistency in computing Ewald self energy · e9a2857a
  Peter Eastman authored Feb 08, 2019
  
  e9a2857a
23 Jan, 2019 1 commit
- Fixed error using tabulated functions with a CustomGBForce · 596be80f
  Peter Eastman authored Jan 23, 2019
  
  596be80f
08 Jan, 2019 1 commit
- Fixed bug involving nested cross products · c2015d51
  peastman authored Jan 08, 2019
  
  c2015d51
18 Dec, 2018 1 commit
- Eliminated use of a deprecated shuffle function · 245ca208
  Peter Eastman authored Dec 18, 2018
  
  245ca208
11 Nov, 2018 1 commit
- Fixed potential uninitialized memory error setting up PME stream · 0e821614
  Peter Eastman authored Nov 11, 2018
  
  0e821614
30 Oct, 2018 1 commit
- Use separate events for different stream synchronizations · f03d9ae2
  Peter Eastman authored Oct 30, 2018
  
  f03d9ae2
26 Oct, 2018 1 commit
- Possible(?) fix for PME energy error · de4c93f8
  Peter Eastman authored Oct 26, 2018
  
  de4c93f8
24 Oct, 2018 1 commit
- Fixed a case of uninitialized memory · 6bebfc4a
  Peter Eastman authored Oct 24, 2018
  
  6bebfc4a
10 Oct, 2018 1 commit
- Fixed error in parameter offsets for nonbonded exceptions · d1c6b858
  Peter Eastman authored Oct 10, 2018
  
  d1c6b858
04 Oct, 2018 1 commit
- Fix uninitialized variable when Coulomb terms are missing · 1f2697a1
  Andy Simmonett authored Oct 04, 2018
  
  1f2697a1
23 Sep, 2018 1 commit
- Fixed bugs in particle parameter offsets · b4c0bf3e
  peastman authored Sep 23, 2018
  
  b4c0bf3e
21 Sep, 2018 2 commits
- Fix OpenCL LJPME energy bug · c1025b3f
  Andy Simmonett authored Sep 21, 2018
  
  c1025b3f
- Fix bug in CUDA LJPME energy without Coulomb terms · abe4385f
  Andy Simmonett authored Sep 21, 2018
  
  abe4385f
07 Sep, 2018 1 commit
- Fixed CUDA compilation error on Windows · e11ba77d
  Peter Eastman authored Sep 07, 2018
  
  e11ba77d
10 Aug, 2018 1 commit
- Avoid unnecessary uploads of global parameters · 595059ce
  Peter Eastman authored Aug 10, 2018
  
  595059ce
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
13 Jul, 2018 1 commit
- Bug fixes and code simplification · 36b9db84
  Peter Eastman authored Jul 13, 2018
  
  36b9db84
12 Jul, 2018 1 commit
- Optimizations to PME in CUDA · 1b12ede8
  Peter Eastman authored Jul 12, 2018
  
  1b12ede8
10 Jul, 2018 1 commit
- Bug fix · cb537d57
  Peter Eastman authored Jul 10, 2018
  
  cb537d57
03 Jul, 2018 1 commit
- Code cleanup to CUDA platform · b441c4a7
  Peter Eastman authored Jul 03, 2018
  
  b441c4a7
28 Jun, 2018 1 commit
- Bug fix · d86dd9d1
  Peter Eastman authored Jun 28, 2018
  
  d86dd9d1
26 Jun, 2018 2 commits
- Bug fix · 41230a89
  Peter Eastman authored Jun 26, 2018
  
  41230a89
- CUDA implementation of parameter offsets for NonbondedForce · 7c6f0b4b
  Peter Eastman authored Jun 26, 2018
  
  7c6f0b4b
18 Jun, 2018 2 commits
- Removed unnecessary syncrhonization · 2f565a0d
  Peter Eastman authored Jun 18, 2018
  
  2f565a0d
- Fixed race condition in sorting · 9abaa587
  Peter Eastman authored Jun 18, 2018
  
  9abaa587
06 Jun, 2018 1 commit
- Bug fixes · de42858f
  peastman authored Jun 06, 2018
  
  de42858f
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
16 May, 2018 1 commit
- Minor optimizations · b3af19cd
  peastman authored May 16, 2018
  
  b3af19cd
09 May, 2018 1 commit
- Bug fixes to vector expressions · fdc59e96
  Peter Eastman authored May 09, 2018
  
  fdc59e96
04 May, 2018 2 commits
- Documentation for vector functions · b53c6593
  Peter Eastman authored May 04, 2018
  
  b53c6593
- 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
25 Apr, 2018 1 commit
- Added missing synchronization · f1bbb8e7
  peastman authored Apr 25, 2018
  
  f1bbb8e7