Commits · a919ab447b201f0918d79c6665d7d3ed166830f3 · tsoc / openmm

18 Nov, 2016 1 commit
- Initial reference implementation of LJPME. · a919ab44
  Andy Simmonett authored Aug 11, 2016
  
  a919ab44
15 Aug, 2016 1 commit
- Empty interaction group should produce no interactions · 8a9a5026
  peastman authored Aug 15, 2016
  
  8a9a5026
11 Aug, 2016 1 commit
- Optimization to CustomNonbondedForce and CustomIntegrator on CPU · bf0b43c5
  peastman authored Aug 11, 2016
  
  bf0b43c5
10 Aug, 2016 1 commit
- Optimization to CustomGBForce on CPU · 1c416f54
  peastman authored Aug 10, 2016
  
  1c416f54
09 Aug, 2016 1 commit
- Fixed compilation errors on Windows · b683cd81
  peastman authored Aug 09, 2016
  
  b683cd81
13 Jul, 2016 1 commit
- CPU implementation of parameter derivatives for CustomGBForce · ff8cac54
  peastman authored Jul 12, 2016
  
  ff8cac54
07 Jul, 2016 1 commit
- Implemented parameter derivatives in CPU platform · 77fe86e4
  peastman authored Jul 07, 2016
  
  77fe86e4
06 Jul, 2016 1 commit
- Continuing to implement derivatives with respect to parameters · 8e01339d
  peastman authored Jul 06, 2016
  
  8e01339d
06 May, 2016 1 commit
- CPU GayBerneForce uses common neighbor list · 0e683e8d
  peastman authored May 05, 2016
  
  0e683e8d
05 May, 2016 1 commit
- CPU platform shares neighbor list between forces · 57812e24
  peastman authored May 05, 2016
  
  57812e24
03 May, 2016 1 commit
- Parallelized CPU implementation of GayBerneForce · 3741c957
  peastman authored May 02, 2016
  
  3741c957
02 May, 2016 1 commit
- Created CPU implementation of GayBerneForce · 6c1d5eb1
  peastman authored May 02, 2016
  
  6c1d5eb1
21 Apr, 2016 1 commit
- Unified names of platform properties · f12cb008
  Peter Eastman authored Apr 21, 2016
  
  f12cb008
12 Apr, 2016 1 commit
- Reference implementation of periodic boundary conditions for bonded forces · 908340c1
  Peter Eastman authored Apr 12, 2016
  
  908340c1
28 Sep, 2015 1 commit
- Further optimizations to CPU platform · 40947735
  peastman authored Sep 28, 2015
  
  40947735
24 Sep, 2015 1 commit
- Optimizations to CPU platform · 02825c46
  peastman authored Sep 24, 2015
  
  02825c46
03 Sep, 2015 1 commit
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
16 Jul, 2015 1 commit
- Began overhaul of CUDA CustomIntegrator in preparation for supporting flow control · 59c809c0
  peastman authored Jul 16, 2015
  
  59c809c0
14 May, 2015 1 commit
- Tabulated erfc() to improve accuracy of energies · 15465af0
  peastman authored May 14, 2015
  
  15465af0
14 Apr, 2015 1 commit
- Optimization to CPU nonbonded forces · 05381ef1
  peastman authored Apr 14, 2015
  
  05381ef1
10 Apr, 2015 1 commit
- Optimizations to neighbor list construction · 95423468
  peastman authored Apr 10, 2015
  
  95423468
06 Mar, 2015 1 commit
- For multi-GPU, exceeding the size of the neighbor list causes the forces to be marked as invalid · bd666c27
  peastman authored Mar 06, 2015
  
  bd666c27
20 Feb, 2015 1 commit
- Moved reference platform classes into OpenMM namespace · 9111cca0
  peastman authored Feb 20, 2015
  
  9111cca0
19 Dec, 2014 1 commit
- Use templates to improve performance when not using triclinic boxes · b3bab499
  peastman authored Dec 19, 2014
  
  b3bab499
17 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in CPU platform · 78e5f13a
  peastman authored Dec 16, 2014
  
  78e5f13a
16 Dec, 2014 1 commit
- CpuNeighborList correctly handles triclinic boxes · 4193a416
  peastman authored Dec 16, 2014
  
  4193a416
10 Dec, 2014 1 commit
- Began implementing triclinic boxes for CPU platform · 4b6f53e5
  peastman authored Dec 10, 2014
  
  4b6f53e5
13 Oct, 2014 1 commit
- GBSAOBCForce allows the surface area energy to be changed · 34a604b8
  peastman authored Oct 13, 2014
  
  34a604b8
07 Oct, 2014 5 commits
- More optimizations to CpuCustomGBForce · 4c8750ad
  peastman authored Oct 07, 2014
  
  4c8750ad
- Very minor optimization to CpuCustomGBForce · ea435536
  peastman authored Oct 07, 2014
  
  ea435536
- Parallelized CpuCustomGBForce · 6a4ac837
  peastman authored Oct 07, 2014
  
  6a4ac837
- Further optimizations to CustomGBForce · bb70341a
  peastman authored Oct 07, 2014
  
  bb70341a
- Eliminated some unnecessary memory allocation · 83a0b613
  peastman authored Oct 07, 2014
  
  83a0b613
06 Oct, 2014 2 commits
- More optimizations to CPU CustomGBForce · 4d827cd9
  peastman authored Oct 06, 2014
  
  4d827cd9
- Began creating CPU version of CustomGBForce · 468a8a5c
  peastman authored Oct 06, 2014
  
  468a8a5c
03 Sep, 2014 1 commit
- Fixed errors on Windows · c66766a8
  peastman authored Sep 03, 2014
  
  c66766a8
29 Aug, 2014 1 commit
- CustomManyParticleForce offers two different "permutation modes". Implemented... · f5acdd7a
  peastman authored Aug 28, 2014
```
CustomManyParticleForce offers two different "permutation modes".  Implemented it for Reference and CPU platforms.
```
  f5acdd7a
15 Aug, 2014 2 commits
- Eliminated some unnecessary memory allocation in CpuCustomManyParticleForce · 0d5e0b55
  peastman authored Aug 15, 2014
  
  0d5e0b55
- Finished CPU implementation of CustomManyParticleForce · 14d3c584
  peastman authored Aug 15, 2014
  
  14d3c584
14 Aug, 2014 1 commit
- CPU version of CustomManyParticleForce is multithreaded · 0e2ffb4b
  peastman authored Aug 14, 2014
  
  0e2ffb4b