Commits · 4fd3493af5601ebb73755ac77444c45ba72fc90f · tsoc / openmm

03 Jun, 2010 1 commit
- Made Ewald test cases run slightly faster · 4fd3493a
  Peter Eastman authored Jun 03, 2010
  
  4fd3493a
02 Jun, 2010 4 commits
- 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
- Updated User Manual for 2.0 · cd75dee3
  Peter Eastman authored Jun 02, 2010
  
  cd75dee3
- Added test cases to verify that CustomTorsionForce returns the angle in the right range · d84d9098
  Peter Eastman authored Jun 02, 2010
  
  d84d9098
- Fixed bugs related to exclusions in CustomGBForce · 1ace7814
  Peter Eastman authored Jun 02, 2010
  
  1ace7814
01 Jun, 2010 5 commits
- Removed files that were accidentally checked in · e4187c0f
  Peter Eastman authored Jun 01, 2010
  
  e4187c0f
- Allow multiple buffers to be cleared by a single kernel, improving performance on small systems. · ef8a3447
  Peter Eastman authored Jun 01, 2010
  
  ef8a3447
- Fixed a problem with numerical precision that sometimes prevented SHAKE clusters being recognized · 94a151b1
  Peter Eastman authored Jun 01, 2010
  
  94a151b1
- Fixed compilation error under Linux · 9e83ef09
  Peter Eastman authored Jun 01, 2010
  
  9e83ef09
- Updated for recent changes to CMake scripts · 274842f3
  Peter Eastman authored Jun 01, 2010
  
  274842f3
29 May, 2010 1 commit
- Minor change to FindCUDA.cmake needed so it could be used with the NML plugin · 5f2e5b2e
  Peter Eastman authored May 29, 2010
  
  5f2e5b2e
26 May, 2010 2 commits
- Minor API additions needed for the Normal Mode Langevin plugin · 95aa79b7
  Peter Eastman authored May 26, 2010
  
  95aa79b7
- Fixed a field that was not getting initialized · 00eec5ea
  Peter Eastman authored May 26, 2010
  
  00eec5ea
25 May, 2010 1 commit
- Bug fixes to CustomGBForce · bc025a7b
  Peter Eastman authored May 25, 2010
  
  bc025a7b
24 May, 2010 1 commit
- Updated the theory section of the users guide for new features in OpenMM · 2b6e2898
  Peter Eastman authored May 24, 2010
  
  2b6e2898
22 May, 2010 1 commit
- Fixed some compilation warnings · 729bcde9
  Peter Eastman authored May 22, 2010
  
  729bcde9
21 May, 2010 9 commits
- Prevent custom forces from trying to use more shared memory than is available · 117436ed
  Peter Eastman authored May 21, 2010
  
  117436ed
- Added a missing initializer to CudaApplyMonteCarloBarostatKernel · 2d681361
  Peter Eastman authored May 21, 2010
  
  2d681361
- Fixed compilation error on some OpenCL implementations · 5d4ff603
  Peter Eastman authored May 21, 2010
  
  5d4ff603
- Added MonteCarloBarostat to OpenMM.h · 7672a22e
  Peter Eastman authored May 21, 2010
  
  7672a22e
- Removed test · bba5e3cd
  Mark Friedrichs authored May 21, 2010
  
  bba5e3cd
- Fix to inadvertent checkin · e1a1a3a9
  Mark Friedrichs authored May 21, 2010
  
  e1a1a3a9
- Fixed compilation error under Windows · ad2aebce
  Peter Eastman authored May 21, 2010
  
  ad2aebce
- Fix to inadvertent checkin · 4130dac8
  Mark Friedrichs authored May 21, 2010
  
  4130dac8
- Update · 62cf5c93
  Mark Friedrichs authored May 21, 2010
  
  62cf5c93
17 May, 2010 1 commit
- Restructured API for periodic box size so it is now queried from State rather than Context · 87542608
  Peter Eastman authored May 17, 2010
  
  87542608
15 May, 2010 1 commit
- Created CUDA implementation of MonteCarloBarostat · 607f2b6a
  Peter Eastman authored May 15, 2010
  
  607f2b6a
14 May, 2010 2 commits
- Fixed problems in MonteCarloBarostat and created OpenCL implementation · 70ca43ad
  Peter Eastman authored May 14, 2010
  
  70ca43ad
- Removed sfmt.h include · dc0e00de
  Mark Friedrichs authored May 14, 2010
  
  dc0e00de
13 May, 2010 1 commit
- Removed isNotReady() method · 2d9c3255
  Mark Friedrichs authored May 13, 2010
  
  2d9c3255
12 May, 2010 2 commits
- Created MonteCarloBarostat, including reference implementation · 1b99afd7
  Peter Eastman authored May 12, 2010
  
  1b99afd7
- Removed checks for implicit solvent parameter settings · 475b8fac
  Mark Friedrichs authored May 12, 2010
  
  475b8fac
10 May, 2010 4 commits
- changed in for SFMT.h to new location · 12a0e2c4
  Mark Friedrichs authored May 10, 2010
  
  12a0e2c4
- Moved SFMT into libraries folder, and restructured it to allow multiple... · b06fc4a7
  Peter Eastman authored May 10, 2010
```
Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
```
  b06fc4a7
- getSpeed() returns 50 for OpenCL platform · 625180a6
  Peter Eastman authored May 10, 2010
  
  625180a6
- Updated to use new API · ebdb2ef3
  Peter Eastman authored May 10, 2010
  
  ebdb2ef3
07 May, 2010 4 commits
- Expanded test cases for CustomGBForce · c742d7ff
  Peter Eastman authored May 07, 2010
  
  c742d7ff
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
- Commnet out TestCudaUsingParameterFile · 149c6ec6
  Mark Friedrichs authored May 07, 2010
  
  149c6ec6
- GB/VI grid integration test · e539969d
  Mark Friedrichs authored May 07, 2010
```
Allow parameter specification of platforms to be compared
```
  e539969d