Commits · 0fe7612bdaa99f73a66addabb396cdb73dfbcc0e · tsoc / openmm

31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
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Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
30 Jan, 2014 2 commits
- Created reference implementation of Continuous3DFunction · c9c218ac
  peastman authored Jan 30, 2014
  
  c9c218ac
- Added 3D spline functions to SplineFitter · 9d3636f4
  peastman authored Jan 30, 2014
  
  9d3636f4
29 Jan, 2014 1 commit
- Created reference implementation of Continuous2DFunction · 4cfeb429
  peastman authored Jan 28, 2014
  
  4cfeb429
28 Jan, 2014 1 commit
- Added 2D spline functions to SplineFitter · 5b0e8f29
  peastman authored Jan 28, 2014
  
  5b0e8f29
27 Jan, 2014 1 commit
- Delete TabulatedFunctions when their owner is deleted · 5d4dcb42
  peastman authored Jan 27, 2014
  
  5d4dcb42
25 Jan, 2014 1 commit
- Created Discrete2DFunction and Discrete3DFunction · a773952e
  peastman authored Jan 24, 2014
  
  a773952e
24 Jan, 2014 1 commit
- Created Discrete1DFunction · 56e36449
  peastman authored Jan 24, 2014
  
  56e36449
23 Jan, 2014 2 commits
- Converted reference platform to process tabulated functions with the TabulatedFunction API · 98640b63
  peastman authored Jan 23, 2014
  
  98640b63
- Created new API for tabulated functions · dabc225e
  peastman authored Jan 23, 2014
  
  dabc225e
14 Jan, 2014 2 commits
- Fixed a compilation error when building wrappers · bd543402
  peastman authored Jan 14, 2014
  
  bd543402
- Added methods for changing default parameters on barostats and thermostats · df563967
  peastman authored Jan 14, 2014
  
  df563967
15 Jan, 2014 1 commit
- Workaround for bug in Visual Studio · 435be5e2
  peastman authored Jan 15, 2014
  
  435be5e2
09 Jan, 2014 2 commits
- Bug fix · e14ab7b9
  peastman authored Jan 09, 2014
  
  e14ab7b9
- Fixed additional errors on Windows · 76d592d6
  Peter Eastman authored Jan 09, 2014
  
  76d592d6
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
06 Jan, 2014 1 commit
- Workaround for compilation error on some compilers · 29bfe077
  peastman authored Jan 06, 2014
  
  29bfe077
20 Dec, 2013 1 commit
- Fixed a compilation error on gcc 4.4 · 3366382d
  peastman authored Dec 20, 2013
  
  3366382d
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
16 Dec, 2013 1 commit
- Created wrapper classes for AVX vectors · ddad7c6c
  peastman authored Dec 16, 2013
  
  ddad7c6c
12 Dec, 2013 1 commit
- Fixes for compilation errors on Visual Studio 2013 · b4150b1b
  peastman authored Dec 11, 2013
  
  b4150b1b
06 Dec, 2013 1 commit
- Further optimizations to CPU platform · 99f3a8a2
  peastman authored Dec 06, 2013
  
  99f3a8a2
05 Dec, 2013 1 commit
- Minor optimizations to CPU platform · 2882737d
  peastman authored Dec 05, 2013
  
  2882737d
04 Dec, 2013 1 commit
- Created C/Fortran wrappers for serialization · bbf3de23
  peastman authored Dec 04, 2013
  
  bbf3de23
07 Nov, 2013 1 commit
- 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
01 Nov, 2013 1 commit
- include what you use · 16978d1f
  Robert McGibbon authored Oct 31, 2013
  
  16978d1f
30 Oct, 2013 1 commit
- 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 1 commit
- 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
16 Oct, 2013 1 commit
- Converted lots of ExpressionPrograms to CompiledExpressions · 54e47d2d
  peastman authored Oct 16, 2013
  
  54e47d2d
10 Oct, 2013 1 commit
- Separated hardware query functions into a separate file. CPU platform checks... · 50d4f9d0
  peastman authored Oct 10, 2013
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Separated hardware query functions into a separate file.  CPU platform checks for the correct hardware.
```
  50d4f9d0
13 Aug, 2013 1 commit
- Bug fixes to interaction groups · b2af59a8
  peastman authored Aug 13, 2013
  
  b2af59a8
05 Aug, 2013 1 commit
- Created API and reference implementation of restricting CustomNonbondedForce... · 9840ca70
  peastman authored Aug 05, 2013
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Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
```
  9840ca70
01 Aug, 2013 1 commit

Converted the routine for identifying molecules from a recursion to a loop. ... · b2d5520d

peastman authored Aug 01, 2013

Converted the routine for identifying molecules from a recursion to a loop.  This avoids stack overflows with very long linear molecules.

b2d5520d

25 Jul, 2013 1 commit
- Changed order of arguments to produce a simpler API · 843076ac
  peastman authored Jul 25, 2013
  
  843076ac
12 Jul, 2013 1 commit
- Cleanup and bugfixes to MonteCarloAnisotropicBarostat · 3a2f4643
  Peter Eastman authored Jul 12, 2013
  
  3a2f4643