Commits · 0107f59f88ac4cc18ad9046d2c61852b9fd5fb39 · tsoc / openmm

18 Nov, 2008 1 commit

Stop trying to populate and delete third element of two-element particleList... · 0107f59f

Christopher Bruns authored Nov 18, 2008

Stop trying to populate and delete third element of two-element particleList array in TestReferenceNeighborList.cpp.
Memory corruption awaits...

0107f59f

17 Nov, 2008 1 commit
- Fixed a few problems related to GBSA · 53f03e6a
  Peter Eastman authored Nov 17, 2008
  
  53f03e6a
16 Nov, 2008 2 commits
- Obc forces were overwriting input forces instead of being added to input values · 02432980
  Mark Friedrichs authored Nov 16, 2008
  
  02432980
- Mods to allow Born radii to be updated if atomic positions updated off the board · 248522cb
  Mark Friedrichs authored Nov 16, 2008
  
  248522cb
14 Nov, 2008 1 commit
- Changed cmake to choose install directory the same way as in SimTKcommon project · f8a19f1e
  Christopher Bruns authored Nov 14, 2008
  
  f8a19f1e
13 Nov, 2008 1 commit
- Increased tolerances on test cases that were failing. · c21572bb
  Peter Eastman authored Nov 13, 2008
  
  c21572bb
12 Nov, 2008 1 commit
- Fixed several bugs in OpenMM · b86e12ce
  Peter Eastman authored Nov 12, 2008
  
  b86e12ce
06 Nov, 2008 1 commit
- Added cmake instructions to install libraries after building · d2638082
  Peter Eastman authored Nov 06, 2008
  
  d2638082
04 Nov, 2008 2 commits
- Look harder for cuda install area on Windows · ff35186f
  Christopher Bruns authored Nov 04, 2008
  
  ff35186f
- Implemented dynamic loading of platforms from DLLs. Also fixed a lot of... · a416009a
  Peter Eastman authored Nov 04, 2008
```
Implemented dynamic loading of platforms from DLLs.  Also fixed a lot of compilation errors and warnings under Windows.
```
  a416009a
31 Oct, 2008 1 commit
- Lots of mystical CMake incantations to make Cuda platform compile both static... · 8f2f6e39
  Peter Eastman authored Oct 31, 2008
```
Lots of mystical CMake incantations to make Cuda platform compile both static and dynamic libraries correctly
```
  8f2f6e39
30 Oct, 2008 2 commits
- Several changes to get OpenMM to build on Linux · 93354c21
  Christopher Bruns authored Oct 30, 2008
```
 * capitalization of gpuTypes.h
 * various cmake issues
```
  93354c21
- removed redundant qualification ‘ReferenceForce::’ on member... · 379499aa
  Christopher Bruns authored Oct 30, 2008
```
removed redundant qualification ‘ReferenceForce::’ on member ‘getDeltaRPeriodic’ to get compile on linux
```
  379499aa
29 Oct, 2008 2 commits
- Renamed GBSAOBCForceField to GBSAOBCForce. · 3c100e69
  Peter Eastman authored Oct 29, 2008
  
  3c100e69
- Created Cuda implementation of AndersenThermostat. Tweaked test cases for BrownianIntegrator. · 1b2ebaf0
  Peter Eastman authored Oct 29, 2008
  
  1b2ebaf0
28 Oct, 2008 1 commit
- Created Cuda implementation of VerletIntegrator · fc973cdc
  Peter Eastman authored Oct 28, 2008
  
  fc973cdc
27 Oct, 2008 1 commit
- Created Cuda implementation of BrownianIntegrator · 39557436
  Peter Eastman authored Oct 27, 2008
  
  39557436
22 Oct, 2008 2 commits
- Renamed "atoms" to "particles" · 62c4fd53
  Peter Eastman authored Oct 22, 2008
  
  62c4fd53
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
21 Oct, 2008 1 commit
- Periodic box size is specified with box vectors instead of widths · 8078c417
  Peter Eastman authored Oct 21, 2008
  
  8078c417
20 Oct, 2008 1 commit
- Working on making the GBSA test cases pass · bf9898e6
  Peter Eastman authored Oct 20, 2008
  
  bf9898e6
16 Oct, 2008 1 commit

Changed how kernels get initialized. StandardMMForceField now has you set the... · a138663d

Peter Eastman authored Oct 16, 2008

Changed how kernels get initialized.  StandardMMForceField now has you set the 1-4 interactions explicitly.  CMMotionRemover allows the removal frequency to be set.

a138663d

15 Oct, 2008 2 commits
- Converted units from kcal/A to Joule/nm · bf93e42f
  Mark Friedrichs authored Oct 15, 2008
  
  bf93e42f
- Finished incorporating Cuda code into OpenMM · 099b8e55
  Peter Eastman authored Oct 15, 2008
  
  099b8e55
11 Oct, 2008 1 commit
- Incorporating Cuda code into OpenMM · 5c4a033f
  Peter Eastman authored Oct 11, 2008
  
  5c4a033f
03 Oct, 2008 1 commit
- Added Brownian dynamics code (including kernels); renamed StochasticDynamics LangevinDynamics · 170e493a
  Mark Friedrichs authored Oct 03, 2008
```
Added license to kernel and kernel include files
```
  170e493a
02 Oct, 2008 2 commits
- Added functionality to BrookRemoveCMMotionKernel' fixed problem w/ BrookVelocityCenterOfMassRemoval · d3614c8b
  Mark Friedrichs authored Oct 02, 2008
  
  d3614c8b
- Mods · e763e1cd
  Mark Friedrichs authored Oct 02, 2008
  
  e763e1cd
01 Oct, 2008 1 commit
- Added velocity-center-ofmass removal · 003ef5cc
  Mark Friedrichs authored Oct 01, 2008
  
  003ef5cc
27 Sep, 2008 2 commits
- Added Verlet & KE code · baed0187
  Mark Friedrichs authored Sep 27, 2008
  
  baed0187
- Added Verlet test · 7f00006f
  Mark Friedrichs authored Sep 27, 2008
  
  7f00006f
26 Sep, 2008 2 commits
- Mods · 8c73b063
  Mark Friedrichs authored Sep 26, 2008
  
  8c73b063
- Update · 10fc2f21
  Mark Friedrichs authored Sep 26, 2008
  
  10fc2f21
25 Sep, 2008 1 commit
- Mods · cb130f92
  Mark Friedrichs authored Sep 25, 2008
  
  cb130f92
24 Sep, 2008 6 commits
- Attempting to fix incorrect file capitalization introduced by Windows · cc8b4de0
  Peter Eastman authored Sep 24, 2008
  
  cc8b4de0
- Attempting to fix incorrect file capitalization introduced by Windows · c150c4df
  Peter Eastman authored Sep 24, 2008
  
  c150c4df
- Attempting to fix incorrect file capitalization introduced by Windows · 3090a06c
  Peter Eastman authored Sep 24, 2008
  
  3090a06c
- Attempting to fix incorrect file capitalization introduced by Windows · c7f6cd3a
  Peter Eastman authored Sep 24, 2008
  
  c7f6cd3a
- Fixed lots of errors and warnings compiling under Windows · 04ea8ce9
  Peter Eastman authored Sep 24, 2008
  
  04ea8ce9
- Updated tests w/ energy checks · a01da386
  Mark Friedrichs authored Sep 24, 2008
  
  a01da386