Commits · 468a8a5c1ab68a9c88c4986b40539e21447a000b · tsoc / openmm

06 Oct, 2014 1 commit
- 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
07 Nov, 2013 1 commit
- Tabulated log(x) to improve GB performance · f39a5545
  peastman authored Nov 07, 2013
  
  f39a5545
06 Nov, 2013 1 commit
- Optimizations to CPU version of GBSA · 563914a7
  peastman authored Nov 06, 2013
  
  563914a7
05 Nov, 2013 1 commit
- Minor optimizations to CPU version of GBSAOBCForce · 775866b6
  peastman authored Nov 04, 2013
  
  775866b6
04 Nov, 2013 1 commit
- Created optimized CPU version of GBSAOBCForce · c97ca97b
  peastman authored Nov 04, 2013
  
  c97ca97b
01 Nov, 2013 1 commit
- Centralized the forces, positions, and thread pool so they can be shared between kernels · be61ee5b
  peastman authored Nov 01, 2013
  
  be61ee5b
30 Oct, 2013 2 commits
- Minor optimizations to CPU platform: avoid applying periodic boundary conditions unnecessarily · 62c64e3c
  peastman authored Oct 30, 2013
  
  62c64e3c
- Further optimizations to CPU nonbonded force · a69227ca
  peastman authored Oct 30, 2013
  
  a69227ca
29 Oct, 2013 1 commit
- Created ThreadPool to simplify parallel code · f3fe550a
  peastman authored Oct 29, 2013
  
  f3fe550a
23 Oct, 2013 2 commits
- Minor optimizations to neighbor list construction · 6ad86974
  peastman authored Oct 23, 2013
  
  6ad86974
- Optimized algorithm for building neighbor list. · f301042f
  peastman authored Oct 23, 2013
  
  f301042f
22 Oct, 2013 1 commit
- Restructured nonbonded calculation to allow more efficient vectorization · 56902b45
  peastman authored Oct 22, 2013
  
  56902b45
21 Oct, 2013 1 commit
- Created vector classes to simplify SSE code · 6eacad45
  peastman authored Oct 21, 2013
  
  6eacad45
17 Oct, 2013 1 commit
- Fixed segfaults on some computers · 8f168506
  peastman authored Oct 17, 2013
  
  8f168506
15 Oct, 2013 1 commit
- Assorted optimizations · 79011828
  peastman authored Oct 14, 2013
  
  79011828
14 Oct, 2013 1 commit
- Tabulate the Ewald scale factor · f1533707
  peastman authored Oct 14, 2013
  
  f1533707
12 Oct, 2013 1 commit
- Do not rebuild the neighbor list every time step · 18f1cd3e
  peastman authored Oct 11, 2013
  
  18f1cd3e