Commits · ddf1216dd9a8ed048666c780f4988cb123184268 · tsoc / openmm

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
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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
11 Oct, 2013 4 commits
- Direct space nonbonded is multithreaded · b278bb6d
  peastman authored Oct 11, 2013
  
  b278bb6d
- Use optimized PME implementation when available · 3c435fb8
  peastman authored Oct 11, 2013
  
  3c435fb8
- PME works correctly in CPU platform · e22b8f53
  peastman authored Oct 11, 2013
  
  e22b8f53
- Continuing to optimize CPU nonbonded routines · 6b10b909
  peastman authored Oct 11, 2013
  
  6b10b909
10 Oct, 2013 2 commits
- Began creating optimized implementation of direct space nonbonded calculation · 9bc194b9
  peastman authored Oct 10, 2013
  
  9bc194b9
- Neighborlist construction is multithreaded. · f4a1847a
  peastman authored Oct 10, 2013
  
  f4a1847a
09 Oct, 2013 2 commits
- Optimizations to neighbor list construction · d4d9ce1f
  peastman authored Oct 09, 2013
  
  d4d9ce1f
- Early beginnings of creating an optimized CPU platform · d4a343e2
  peastman authored Oct 09, 2013
  
  d4a343e2