Commits · 149c6ec655676573a9cfc1f210da2b5d86b5ec68 · tsoc / openmm

"docs-source/vscode:/vscode.git/clone" did not exist on "7219ca901011dcabdc167e7afdb6d102d77e75c9"

05 May, 2010 1 commit
- CustomGBForce allows single-particle values to depend on position · 43e6e68c
  Peter Eastman authored May 05, 2010
  
  43e6e68c
22 Apr, 2010 1 commit
- Fixed compilation error on Windows · 15a8478e
  Peter Eastman authored Apr 22, 2010
  
  15a8478e
16 Apr, 2010 1 commit
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
14 Apr, 2010 1 commit
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
07 Apr, 2010 1 commit
- Added "explicit" keyword to constructors for several API classes. · 51bf5ee4
  Christopher Bruns authored Apr 07, 2010
  
  51bf5ee4
05 Mar, 2010 1 commit
- Redesigned CustomHbondForce to be more general · be137f98
  Peter Eastman authored Mar 05, 2010
  
  be137f98
23 Feb, 2010 1 commit
- Implemented CustomHbondForce, including reference implementation. · 140081ec
  Peter Eastman authored Feb 23, 2010
  
  140081ec
10 Feb, 2010 1 commit
- BrownianIntegrator scales the friction coefficient by the mass · a34610da
  Peter Eastman authored Feb 10, 2010
  
  a34610da
06 Feb, 2010 1 commit
- Throw an exception if the cutoff distance is greater than half the box size (bug 1023) · a37f4b76
  Peter Eastman authored Feb 06, 2010
  
  a37f4b76
02 Feb, 2010 1 commit
- Created CUDA implementation of CustomTorsionForce · 35c67140
  Peter Eastman authored Feb 02, 2010
  
  35c67140
30 Jan, 2010 1 commit
- Created CustomTorsionForce, including reference implementation · bce05131
  Peter Eastman authored Jan 30, 2010
  
  bce05131
29 Jan, 2010 1 commit
- Created CustomAngleForce, including reference implementation · 881df1a5
  Peter Eastman authored Jan 29, 2010
  
  881df1a5
26 Jan, 2010 1 commit
- Implemented PME for OpenCL platform · b1a22214
  Peter Eastman authored Jan 26, 2010
  
  b1a22214
06 Jan, 2010 1 commit
- Updated Doxygen comments to specify units in a more consistent way · d8d70750
  Peter Eastman authored Jan 06, 2010
  
  d8d70750
05 Jan, 2010 2 commits
- Updated doxygen comments to reflect that erf() and erfc() can appear in expressions · c553fe60
  Peter Eastman authored Jan 05, 2010
  
  c553fe60
- Improvements to Doxygen generation · a46c15a3
  Peter Eastman authored Jan 05, 2010
  
  a46c15a3
18 Dec, 2009 1 commit
- Bug fixes · 3e0925fe
  Peter Eastman authored Dec 18, 2009
  
  3e0925fe
11 Dec, 2009 3 commits
- Use a consistent (and more accurate) value for electric constant everywhere. ... · 042ab1aa
  Peter Eastman authored Dec 11, 2009
```
Use a consistent (and more accurate) value for electric constant everywhere.  Also cleaned up handling of constants and units in various places.
```
  042ab1aa
- Fixed compilation warnings on Windows · 2f921936
  Peter Eastman authored Dec 11, 2009
  
  2f921936
- Fixed errors in API wrapper generation · 15a92011
  Peter Eastman authored Dec 11, 2009
  
  15a92011
25 Nov, 2009 4 commits
- Fixed compilation errors · 6e543d20
  Peter Eastman authored Nov 25, 2009
  
  6e543d20
- Added a version of Platform::getPlatform() that looks up platforms by name. ... · cfcebe26
  Peter Eastman authored Nov 25, 2009
```
Added a version of Platform::getPlatform() that looks up platforms by name.  Added a Context constructor that allows platform-specific properties to be specified.
```
  cfcebe26
- Finished reference implementation of CustomGBForce · 3a6d79b3
  Peter Eastman authored Nov 25, 2009
  
  3a6d79b3
- Continuing implementation of CustomGBForce · 4747b0f2
  Peter Eastman authored Nov 25, 2009
  
  4747b0f2
24 Nov, 2009 1 commit
- Preliminary implementation of CustomGBForce · b5edab67
  Peter Eastman authored Nov 24, 2009
  
  b5edab67
19 Nov, 2009 1 commit
- Updated Doxygen comments · dceb3d37
  Peter Eastman authored Nov 19, 2009
  
  dceb3d37
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

11 Nov, 2009 1 commit
- Created CustomExternalForce, along with the reference implementation · dc556529
  Peter Eastman authored Nov 11, 2009
  
  dc556529
10 Nov, 2009 1 commit
- Created CustomBondForce, along with the reference implementation · 3eb561ad
  Peter Eastman authored Nov 10, 2009
  
  3eb561ad
04 Nov, 2009 1 commit
- Removed warnings if number of particles == 1 · eeb94849
  Mark Friedrichs authored Nov 04, 2009
  
  eeb94849
03 Nov, 2009 3 commits
- Fixes to make Windows happier · fb249907
  Mark Friedrichs authored Nov 03, 2009
  
  fb249907
- 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
- Added support for sinh(), cosh(), and tanh() functions. · 43ebedfb
  Peter Eastman authored Nov 03, 2009
  
  43ebedfb
29 Oct, 2009 1 commit
- Fixed a compilation error under Windows · b91c396b
  Peter Eastman authored Oct 29, 2009
  
  b91c396b
28 Oct, 2009 2 commits
- Fixed compilation errors and warnings under Windows · c3af8f4d
  Peter Eastman authored Oct 28, 2009
  
  c3af8f4d
- Fixed compilation error under Windows · 53b4e664
  Peter Eastman authored Oct 28, 2009
  
  53b4e664
24 Oct, 2009 1 commit
- Changed default value for Ewald error tolerance · f0cab877
  Peter Eastman authored Oct 24, 2009
  
  f0cab877
23 Oct, 2009 2 commits
- Bug fixes · a5a368d0
  Peter Eastman authored Oct 23, 2009
  
  a5a368d0
- Implemented new method for selecting Ewald and PME parameters · b5eda392
  Peter Eastman authored Oct 23, 2009
  
  b5eda392
22 Sep, 2009 1 commit
- Eliminated Stream and related classes, replacing their functionality with UpdateStateDataKernel. · f5aebbd4
  Peter Eastman authored Sep 22, 2009
  
  f5aebbd4