Commits · 44e65cb12101b75f70b60607f23b4eaadc17c06a · tsoc / openmm

11 Jan, 2014 1 commit
- Fixed a bug in OpenCL implementation of CustomGBForce · 44e65cb1
  peastman authored Jan 10, 2014
  
  44e65cb1
09 Jan, 2014 3 commits
- Fixed additional errors on Windows · 76d592d6
  Peter Eastman authored Jan 09, 2014
  
  76d592d6
- Fixed a bug that could potentially cause LJ energy to be nan · 5c983283
  peastman authored Jan 09, 2014
  
  5c983283
- Optimizations to CPU GBSA · cf52e69f
  peastman authored Jan 08, 2014
  
  cf52e69f
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
07 Jan, 2014 1 commit
- Very minor optimization · 06db7ac4
  peastman authored Jan 07, 2014
  
  06db7ac4
06 Jan, 2014 2 commits
- Improved logic for selecting a platform to better deal with exceptions in context initialization · d91e3f19
  peastman authored Jan 06, 2014
  
  d91e3f19
- Fixed some bugs identified by Valgrind · fc1d0b5c
  peastman authored Jan 06, 2014
  
  fc1d0b5c
21 Dec, 2013 2 commits
- Fixed quotes in command line when using CudaHostCompiler option · cc11a449
  peastman authored Dec 20, 2013
  
  cc11a449
- Parallelized summing the forces from different threads · 8bdf0829
  peastman authored Dec 20, 2013
  
  8bdf0829
19 Dec, 2013 3 commits
- Parallelized LangevinIntegrator for CPU platform · ddf1216d
  peastman authored Dec 19, 2013
  
  ddf1216d
- Fixed bug in detecting if AVX is supported · 6cde1860
  peastman authored Dec 19, 2013
  
  6cde1860
- 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
13 Dec, 2013 2 commits
- Added option for setting CUDA host compiler · b989fd9b
  peastman authored Dec 13, 2013
  
  b989fd9b
- Reference implementation of AndersenThermostat did not handle massless particles correctly · 8d062ebb
  peastman authored Dec 12, 2013
  
  8d062ebb
10 Dec, 2013 1 commit
- Minor optimizations to CPU platform · 9ec4f597
  peastman authored Dec 10, 2013
  
  9ec4f597
09 Dec, 2013 1 commit
- Parallelized SETTLE on CPU platform · 06748808
  peastman authored Dec 09, 2013
  
  06748808
06 Dec, 2013 2 commits
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
- Further optimizations to CPU platform · 99f3a8a2
  peastman authored Dec 06, 2013
  
  99f3a8a2
05 Dec, 2013 2 commits
- Minor optimizations to CPU platform · 2882737d
  peastman authored Dec 05, 2013
  
  2882737d
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
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
03 Dec, 2013 1 commit
- Optimization to building neighbor list on CPU platform · 56cf0fde
  peastman authored Dec 03, 2013
  
  56cf0fde
25 Nov, 2013 1 commit
- Fixed bugs in computing PME energy with CPU platform · 0ee8c785
  peastman authored Nov 25, 2013
  
  0ee8c785
13 Nov, 2013 1 commit
- Fixed errors on OS X 10.9: link against libc++ instead of libstdc++ · c1f64b3f
  peastman authored Nov 13, 2013
  
  c1f64b3f
08 Nov, 2013 1 commit
- Added some missing virtual destructors · 9d207e8d
  peastman authored Nov 08, 2013
  
  9d207e8d
07 Nov, 2013 3 commits
- Fixed compilation errors on OS X 10.9 · 9a26412b
  peastman authored Nov 07, 2013
  
  9a26412b
- Tabulated log(x) to improve GB performance · f39a5545
  peastman authored Nov 07, 2013
  
  f39a5545
- Fixed compilation errors on gcc · 7714f7ff
  peastman authored Nov 07, 2013
  
  7714f7ff
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 2 commits
- Created optimized CPU version of GBSAOBCForce · c97ca97b
  peastman authored Nov 04, 2013
  
  c97ca97b
- Bug fixes · 7b608514
  peastman authored Nov 04, 2013
  
  7b608514
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 3 commits
- Also use the previous optimization with reaction field · 79f064af
  peastman authored Oct 30, 2013
  
  79f064af
- 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