Commits · dca7d3399d4f1c8bab6289e142341fa02da4ef3c · tsoc / openmm

23 Sep, 2009 2 commits
- Minor optimization · dca7d339
  Peter Eastman authored Sep 23, 2009
  
  dca7d339
- Changes to support compilation on Snow Leopard · afbf885d
  Peter Eastman authored Sep 23, 2009
  
  afbf885d
22 Sep, 2009 1 commit
- Eliminated Stream and related classes, replacing their functionality with UpdateStateDataKernel. · f5aebbd4
  Peter Eastman authored Sep 22, 2009
  
  f5aebbd4
21 Sep, 2009 3 commits
- Fixed a typo in Madelung energy formula. · 21d67074
  Rossen Apostolov authored Sep 21, 2009
  
  21d67074
- Ewald method potential is now compared to the exact value of the Madelung energy. · fd64ac97
  Rossen Apostolov authored Sep 21, 2009
  
  fd64ac97
- New tests for Ewald and PME on both Reference and Cuda platforms. · 68ef42c0
  Rossen Apostolov authored Sep 21, 2009
  
  68ef42c0
19 Sep, 2009 1 commit
- Restructured how force and energy computations are done to make it easier to... · 25af59f8
  Peter Eastman authored Sep 19, 2009
```
Restructured how force and energy computations are done to make it easier to write plugins for the CUDA platform
```
  25af59f8
18 Sep, 2009 1 commit
- Continuing implementation of OpenCL platform · b3781c23
  Peter Eastman authored Sep 18, 2009
  
  b3781c23
17 Sep, 2009 1 commit
- Very beginnings of support for OpenCL · 437ca02f
  Peter Eastman authored Sep 17, 2009
  
  437ca02f
12 Sep, 2009 1 commit
- Periodic box size is specified by System rather than NonbondedForce · 15811b7c
  Peter Eastman authored Sep 12, 2009
  
  15811b7c
11 Sep, 2009 2 commits
- Optimized CUDA implementation of CustomNonbondedForce · 77f2d93b
  Peter Eastman authored Sep 11, 2009
  
  77f2d93b
- Bug fix. · 39ca36ee
  Peter Eastman authored Sep 11, 2009
  
  39ca36ee
10 Sep, 2009 1 commit
- Revised method for selecting the PME mesh spacing · d5bbd1fc
  Peter Eastman authored Sep 10, 2009
  
  d5bbd1fc
09 Sep, 2009 4 commits
- Minor bug fix · 20d87761
  Peter Eastman authored Sep 09, 2009
  
  20d87761
- Bug fix. · dc91a24e
  Peter Eastman authored Sep 09, 2009
  
  dc91a24e
- Bug fix. · 5ada4eb6
  Peter Eastman authored Sep 09, 2009
  
  5ada4eb6
- Reduced memory use for PME. · d5cc0fba
  Peter Eastman authored Sep 09, 2009
  
  d5cc0fba
08 Sep, 2009 1 commit
- Optimizations to PME. · dc677fac
  Peter Eastman authored Sep 08, 2009
  
  dc677fac
03 Sep, 2009 3 commits
- Optimizations to PME direct space calculation. Also added code for PME with GBSA. · 24148147
  Peter Eastman authored Sep 03, 2009
  
  24148147
- Work around two different "PI" finding problems on Windows XP with Visual Studio Express 9 (2008) · f92c61b0
  Christopher Bruns authored Sep 03, 2009
  
  f92c61b0
- Implemented a new (much faster) charge spreading algorithm for PME · 68ec5df7
  Peter Eastman authored Sep 03, 2009
  
  68ec5df7
02 Sep, 2009 2 commits
- Now cmake 2.4.6 will not barf on CMakeLists.txt · 59be3426
  Christopher Bruns authored Sep 02, 2009
  
  59be3426
- Yet another layer of cmake policy wrapping to avoid trouble with cmake 2.4.5 on Linux · c0183d1f
  Christopher Bruns authored Sep 02, 2009
  
  c0183d1f
01 Sep, 2009 4 commits
- Optimizations for PME · 125e52ae
  Peter Eastman authored Sep 01, 2009
  
  125e52ae
- fixed write up reagrding version 2.2 · 3638f243
  Jeanette authored Sep 01, 2009
  
  3638f243
- fixed write up reagrding version 2.2 · 8ed6bfc4
  Jeanette authored Sep 01, 2009
  
  8ed6bfc4
- Wrap cmake policy settings in additional layer of if(POLICY ...). · ec81ab80
  Christopher Bruns authored Sep 01, 2009
  
  ec81ab80
28 Aug, 2009 5 commits
- Very early stages of optimizing PME · 29d3e54c
  Peter Eastman authored Aug 28, 2009
  
  29d3e54c
- No commit message · 03a0a0d5
  Joy Ku authored Aug 28, 2009
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No commit message
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  03a0a0d5
- Completed preliminary CUDA implementation of PME · 72f2205a
  Peter Eastman authored Aug 28, 2009
  
  72f2205a
- Removed CUDPP files and references from OpenMM head (previous commit was for OpenMMFreeEnergy) · 256dd5ef
  Imran Haque authored Aug 28, 2009
  
  256dd5ef
- Implemented PME reciprocal convolution kernel · 22c28d6b
  Peter Eastman authored Aug 28, 2009
  
  22c28d6b
27 Aug, 2009 2 commits
- Preliminary version of PME charge spreading kernel · 5ac57f16
  Peter Eastman authored Aug 27, 2009
  
  5ac57f16
- Beginnings of the CUDA implementation of PME · a4b2a13b
  Peter Eastman authored Aug 27, 2009
  
  a4b2a13b
26 Aug, 2009 3 commits
- Use texture cache for tabulated functions · e009228a
  Peter Eastman authored Aug 26, 2009
  
  e009228a
- Minor bug fix · 8689a536
  Peter Eastman authored Aug 26, 2009
  
  8689a536
- Replaced CUDPP with Imran's code for stream compaction. · 8d206abc
  Peter Eastman authored Aug 26, 2009
  
  8d206abc
25 Aug, 2009 1 commit
- Fixed build errors on GCC 4.3 · cc5c1492
  Peter Eastman authored Aug 25, 2009
  
  cc5c1492
24 Aug, 2009 2 commits
- Merge up changes from PreviewRelease4 branch, revisions 1600:1621 · 31cd86f8
  Christopher Bruns authored Aug 24, 2009
  
  31cd86f8
- Particle locations reported through the API do not get moved into the first periodic box · e7813ee0
  Peter Eastman authored Aug 24, 2009
  
  e7813ee0