Commits · dc6ccade83d3b8a749f4840aaf48d5fe7986885e · tsoc / openmm

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
13 Aug, 2014 1 commit
- Continuing to implement CPU version of CustomManyParticleForce · 1bc8e327
  peastman authored Aug 13, 2014
  
  1bc8e327
09 Aug, 2014 1 commit
- Began working on CPU implementation of CustomManyParticleForce · b2ce1c29
  peastman authored Aug 08, 2014
  
  b2ce1c29
25 Jul, 2014 1 commit
- CPU platform works on PNaCl · 0bb293f8
  peastman authored Jul 25, 2014
  
  0bb293f8
17 Mar, 2014 3 commits
- Finished parallelizing CPU implementation of CustomNonbondedForce · b8866444
  peastman authored Mar 17, 2014
  
  b8866444
- Began parallelizing CPU implementation of CustomNonbondedForce · c053a59a
  peastman authored Mar 17, 2014
  
  c053a59a
- Began creating CPU implementation of CustomNonbondedForce · 7ab954bb
  peastman authored Mar 17, 2014
  
  7ab954bb
11 Mar, 2014 1 commit
- Created a property for setting the number of CPU cores to use · 424bfe9c
  peastman authored Mar 11, 2014
  
  424bfe9c
22 Jan, 2014 2 commits
- Parallelized the initialization of positions and forces in the CPU platform · 146b66bd
  peastman authored Jan 22, 2014
  
  146b66bd
- Parallelized the computation of torsions with CPU platform · 543d51d7
  peastman authored Jan 22, 2014
  
  543d51d7
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
21 Dec, 2013 1 commit
- Parallelized summing the forces from different threads · 8bdf0829
  peastman authored Dec 20, 2013
  
  8bdf0829
19 Dec, 2013 2 commits
- Parallelized LangevinIntegrator for CPU platform · ddf1216d
  peastman authored Dec 19, 2013
  
  ddf1216d
- Automatically select whether to use the SSE or AVX version of CpuNonbondedForce · d4af8747
  peastman authored Dec 18, 2013
  
  d4af8747
18 Dec, 2013 1 commit
- Improved vectorization of CpuNonbondedForce · 5cd23acb
  peastman authored Dec 18, 2013
  
  5cd23acb
17 Dec, 2013 1 commit
- Created AVX implementation of CPU nonbonded force · e22808f3
  peastman authored Dec 16, 2013
  
  e22808f3
09 Dec, 2013 1 commit
- Parallelized SETTLE on CPU platform · 06748808
  peastman authored Dec 09, 2013
  
  06748808
04 Dec, 2013 2 commits
- Enforce memory alignment to improve performance of vector operations. Also... · b1be68d8
  peastman authored Dec 04, 2013
```
Enforce memory alignment to improve performance of vector operations.  Also fixed bugs in an earlier optimization.
```
  b1be68d8
- Optimizations to CPU nonbonded forces: better load balancing between threads,... · be04ec57
  peastman authored Dec 04, 2013
```
Optimizations to CPU nonbonded forces: better load balancing between threads, use linear splines instead of cubic
```
  be04ec57