Commits · b9b7b40d50bce78c6ec73ac9108fe25b42825df9 · tsoc / openmm

31 Jan, 2011 1 commit

Simplified constraint code. In the process, this fixed a bug that caused... · b9b7b40d

Peter Eastman authored Jan 31, 2011

Simplified constraint code.  In the process, this fixed a bug that caused bubbles to appear in water when running on Fermi GPUs.

b9b7b40d

13 Oct, 2010 1 commit
- Removed entries that were not needed · e6c19b54
  Mark Friedrichs authored Oct 13, 2010
  
  e6c19b54
09 Oct, 2010 1 commit
- Cutoffs/PBC for Vdw force · b8e12104
  Mark Friedrichs authored Oct 09, 2010
  
  b8e12104
07 Oct, 2010 1 commit
- Hopefully fixed compilation errors on Windows · 45b0302d
  Peter Eastman authored Oct 07, 2010
  
  45b0302d
29 Sep, 2010 1 commit
- More cleanup for Windows compilation · 3cae6a22
  Mark Friedrichs authored Sep 29, 2010
  
  3cae6a22
28 Aug, 2010 1 commit
- AndersenThermostat works correctly with constraints (see bug 1319) · d9941f47
  Peter Eastman authored Aug 28, 2010
  
  d9941f47
20 Jul, 2010 1 commit
- Created CUDA implementation of CMAPTorsionForce · 2a313e48
  Peter Eastman authored Jul 20, 2010
  
  2a313e48
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
04 Jun, 2010 1 commit
- Added Window's dll exports for methods used by Amoeba · 3f2acaf0
  Mark Friedrichs authored Jun 04, 2010
  
  3f2acaf0
21 May, 2010 2 commits
- Fix to inadvertent checkin · 4130dac8
  Mark Friedrichs authored May 21, 2010
  
  4130dac8
- Update · 62cf5c93
  Mark Friedrichs authored May 21, 2010
  
  62cf5c93
15 May, 2010 1 commit
- Created CUDA implementation of MonteCarloBarostat · 607f2b6a
  Peter Eastman authored May 15, 2010
  
  607f2b6a
23 Apr, 2010 1 commit
- Fixed bug in Langevin integration when used with constraints · bd42d039
  Peter Eastman authored Apr 23, 2010
  
  bd42d039
25 Mar, 2010 1 commit
- Optimization (clear the force and Born sum buffers in a single kernel) · f5ea8297
  Peter Eastman authored Mar 25, 2010
  
  f5ea8297
02 Feb, 2010 1 commit
- Created CUDA implementation of CustomTorsionForce · 35c67140
  Peter Eastman authored Feb 02, 2010
  
  35c67140
29 Jan, 2010 1 commit
- Created CUDA version of CustomAngleForce · 99aad671
  Peter Eastman authored Jan 29, 2010
  
  99aad671
09 Dec, 2009 1 commit
- Increased the allowed size of custom expressions. Also fixed one failing test case. · bed943bd
  Peter Eastman authored Dec 09, 2009
  
  bed943bd
18 Nov, 2009 1 commit
- Fixed some Valgrind warnings · a170606b
  Peter Eastman authored Nov 18, 2009
  
  a170606b
17 Nov, 2009 2 commits
- Created CUDA implementation of CustomExternalForce · 77d3b647
  Peter Eastman authored Nov 17, 2009
  
  77d3b647
- 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
03 Nov, 2009 1 commit

dded GB/VI to Cuda platform · 7a36f461

Mark Friedrichs authored Nov 03, 2009

Free energy plugin added
Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
Also unit tests for GB/VI currently fail

7a36f461

27 Aug, 2009 1 commit
- Beginnings of the CUDA implementation of PME · a4b2a13b
  Peter Eastman authored Aug 27, 2009
  
  a4b2a13b
24 Aug, 2009 1 commit
- Merge up changes from PreviewRelease4 branch, revisions 1600:1621 · 31cd86f8
  Christopher Bruns authored Aug 24, 2009
  
  31cd86f8
11 Aug, 2009 1 commit
- Continuing CUDA implementation of CustomNonbondedForce · a3464898
  Peter Eastman authored Aug 11, 2009
  
  a3464898
08 Aug, 2009 1 commit
- Simplified and optimized calculation of energies · 0541e749
  Peter Eastman authored Aug 08, 2009
  
  0541e749
07 Aug, 2009 1 commit
- All energies existing in Preview Release 3 now run on the GPU, new Ewald... · fdc7cc07
  Kai Kohlhoff authored Aug 07, 2009
```
All energies existing in Preview Release 3 now run on the GPU, new Ewald energy terms still use Reference implementation
```
  fdc7cc07
06 Aug, 2009 1 commit
- Began CUDA implementation of CustomNonbondedForce · c9bf6eee
  Peter Eastman authored Aug 06, 2009
  
  c9bf6eee
17 Jul, 2009 1 commit
- Created CUDA implementation of VariableLangevinIntegrator · bc00090d
  Peter Eastman authored Jul 17, 2009
  
  bc00090d
08 Jul, 2009 1 commit
- Implemented VariableVerletIntegrator::stepTo() · 3adfe31f
  Peter Eastman authored Jul 08, 2009
  
  3adfe31f
26 Jun, 2009 1 commit
- Created CUDA implementation of VariableVerletIntegrator · a1b2fd30
  Peter Eastman authored Jun 26, 2009
  
  a1b2fd30
24 Jun, 2009 1 commit
- Various cleanups to integration code · 3749e84b
  Peter Eastman authored Jun 24, 2009
  
  3749e84b
12 Jun, 2009 1 commit
- Cleaned up constraint code and deleted obsolete constraint implementations · 05259f77
  Peter Eastman authored Jun 12, 2009
  
  05259f77
14 May, 2009 1 commit
- Updated license for Cuda platform to LGPL. · 10379a9a
  Peter Eastman authored May 14, 2009
  
  10379a9a
06 May, 2009 1 commit
- Began CUDA implementation of C-SHAKE algorithm · b2da8475
  Peter Eastman authored May 06, 2009
  
  b2da8475
31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
24 Mar, 2009 1 commit
- Deleted lots of obsolete code. · ff0a69f9
  Peter Eastman authored Mar 24, 2009
  
  ff0a69f9
19 Feb, 2009 1 commit
- Checking in Cuda implementation of explicit solvent · 1010df33
  Peter Eastman authored Feb 19, 2009
  
  1010df33
27 Jan, 2009 1 commit
- Checked in Cuda code · 38f6c8f8
  Peter Eastman authored Jan 27, 2009
  
  38f6c8f8