Commits · 551eb6008dc5924fb93878b0d68bf2bfcf0d455a · tsoc / openmm

04 Mar, 2011 1 commit
- Fixed bug in shared memory indexing for CustomNonbondedForce · 551eb600
  Peter Eastman authored Mar 04, 2011
  
  551eb600
02 Jun, 2010 1 commit
- Optimization to nonbonded forces: replaced divides by multiplies when applying... · 6b25abb3
  Peter Eastman authored Jun 02, 2010
```
Optimization to nonbonded forces: replaced divides by multiplies when applying periodic boundary conditions
```
  6b25abb3
08 Apr, 2010 1 commit
- Fixed bug in writing forces to global memory (see bug 1080) · 5301b9cc
  Peter Eastman authored Apr 08, 2010
  
  5301b9cc
25 Mar, 2010 1 commit
- Reduced number of force buffers for GBSA · 08f52358
  Peter Eastman authored Mar 25, 2010
  
  08f52358
17 Nov, 2009 1 commit

Redesigned CustomNonbondedForce to eliminate combining rules and allow the... · 70015b75

Peter Eastman authored Nov 17, 2009

Redesigned CustomNonbondedForce to eliminate combining rules and allow the expression to directly use parameters for individual particles.

70015b75

12 Nov, 2009 1 commit
- Created CUDA implementation of CustomBondForce · bcbd7dc1
  Peter Eastman authored Nov 12, 2009
  
  bcbd7dc1
11 Sep, 2009 1 commit
- Optimized CUDA implementation of CustomNonbondedForce · 77f2d93b
  Peter Eastman authored Sep 11, 2009
  
  77f2d93b
12 Aug, 2009 2 commits
- Optimizations to CustomNonbondedForce · 41bc0b2d
  Peter Eastman authored Aug 12, 2009
  
  41bc0b2d
- Bug fix · 76fd2d1f
  Peter Eastman authored Aug 12, 2009
  
  76fd2d1f
11 Aug, 2009 2 commits
- Completed CUDA implementation of CustomNonbondedForce · 78c26f71
  Peter Eastman authored Aug 11, 2009
  
  78c26f71
- Continuing CUDA implementation of CustomNonbondedForce · a3464898
  Peter Eastman authored Aug 11, 2009
  
  a3464898
07 Aug, 2009 1 commit
- Continuing CUDA implementation of CustomNonbondedForce · a534f1b2
  Peter Eastman authored Aug 07, 2009
  
  a534f1b2
06 Aug, 2009 1 commit
- Began CUDA implementation of CustomNonbondedForce · c9bf6eee
  Peter Eastman authored Aug 06, 2009
  
  c9bf6eee
03 Aug, 2009 1 commit
- Converted some constants from doubles to floats · 364130a5
  Peter Eastman authored Aug 03, 2009
  
  364130a5
02 Jul, 2009 1 commit
- Automatically select Ewald parameters based on error tolerance · 83d57922
  Peter Eastman authored Jul 02, 2009
  
  83d57922
15 May, 2009 1 commit
- Completed Cuda implementation of Ewald method · fe1e6ffa
  Rossen Apostolov authored May 15, 2009
  
  fe1e6ffa
14 May, 2009 1 commit
- Updated license for Cuda platform to LGPL. · 10379a9a
  Peter Eastman authored May 14, 2009
  
  10379a9a
24 Apr, 2009 1 commit
- Optimization: eliminated an unnecessary gpu->cpu data transfer on each time step · c97d5ee1
  Peter Eastman authored Apr 24, 2009
  
  c97d5ee1
07 Apr, 2009 1 commit
- Real space Ewald (direct summation) is now in kCalculateCDLJForces.h,... · 1b9ab82b
  Rossen Apostolov authored Apr 07, 2009
```
Real space Ewald (direct summation) is now in kCalculateCDLJForces.h, reciprocal summation is done in a separate kernel
```
  1b9ab82b
02 Apr, 2009 1 commit
- Converted lots of ints to unsigned ints (might help performance a little by avoiding conversions) · 5b017677
  Peter Eastman authored Apr 02, 2009
  
  5b017677
10 Mar, 2009 1 commit
- Implemented finer grained neighbor list. Also various minor optimizations. · e04283fe
  Peter Eastman authored Mar 10, 2009
  
  e04283fe
27 Feb, 2009 1 commit
- Reduced memory use for exclusions. Also deleted some obsolete files. · 8055a541
  Peter Eastman authored Feb 27, 2009
  
  8055a541
20 Feb, 2009 1 commit
- Added other files that somehow got ommitted from earlier checkin · 630bdd40
  Peter Eastman authored Feb 20, 2009
  
  630bdd40