Commits · 94823d842b463e8a5f642e8b842e3a9ed2af085d · tsoc / openmm

24 Sep, 2015 1 commit
- Added default values for some arguments · 1d5c7417
  Peter Eastman authored Sep 24, 2015
  
  1d5c7417
23 Sep, 2015 1 commit
- Added error checking for illegal variable names · 213fbc03
  Peter Eastman authored Sep 23, 2015
  
  213fbc03
21 Sep, 2015 1 commit
- Fixed CustomExternalForce::usesPeriodicBoundaryConditions() · 9e1145ac
  peastman authored Sep 21, 2015
  
  9e1145ac
18 Sep, 2015 1 commit
- Reference implementation of periodicdistance() function for CustomExternalForce · cceb3171
  peastman authored Sep 18, 2015
  
  cceb3171
10 Sep, 2015 1 commit
- Created OPENMM_DEFAULT_PLATFORM environment variable · 3fa88060
  peastman authored Sep 10, 2015
  
  3fa88060
03 Sep, 2015 1 commit
- Added NonbondedForce::getPMEParametersInContext() · 4c6d48ba
  peastman authored Sep 03, 2015
  
  4c6d48ba
02 Sep, 2015 1 commit
- Added CustomCentroidBondForce to OpenMM.h · ca805216
  peastman authored Sep 02, 2015
  
  ca805216
01 Sep, 2015 1 commit
- Created reference implementation of CustomCentroidBondForce · 56d95193
  peastman authored Sep 01, 2015
  
  56d95193
31 Aug, 2015 1 commit
- Created API for CustomCentroidBondForce · f1603534
  peastman authored Aug 31, 2015
  
  f1603534
29 Jul, 2015 1 commit
- Optimizations to custom integrator · c744444a
  peastman authored Jul 29, 2015
  
  c744444a
16 Jul, 2015 1 commit
- Began overhaul of CUDA CustomIntegrator in preparation for supporting flow control · 59c809c0
  peastman authored Jul 16, 2015
  
  59c809c0
13 Jul, 2015 1 commit
- Reference implementation of flow control in CustomIntegrator · 44b96f0c
  peastman authored Jul 13, 2015
  
  44b96f0c
10 Jul, 2015 1 commit
- Created CustomIntegratorUtilities · 199feca2
  peastman authored Jul 10, 2015
  
  199feca2
09 Jul, 2015 1 commit
- Created API for flow control in CustomIntegrator · 0f21cca7
  peastman authored Jul 09, 2015
  
  0f21cca7
07 Jul, 2015 1 commit
- Implement tests for the AVX wrappers, TestVectorize8 · 090e2ae1
  Robert McGibbon authored Jul 07, 2015
  
  090e2ae1
10 Jun, 2015 2 commits
- Fix more integrators · 8be6e843
  Kyle Beauchamp authored Jun 10, 2015
  
  8be6e843
- Add check for null context inside integrator.step() · a2438509
  Kyle Beauchamp authored Jun 10, 2015
  
  a2438509
06 May, 2015 2 commits
- Fixed failing test cases. Increased default minimizer tolerance to 10. · f18fa49c
  Peter Eastman authored May 06, 2015
  
  f18fa49c
- Implemented select() in custom expressions · 2b7bbdb0
  peastman authored May 06, 2015
  
  2b7bbdb0
10 Apr, 2015 1 commit
- Optimizations to CpuNonbondedForce · 3a415486
  peastman authored Apr 10, 2015
  
  3a415486
19 Mar, 2015 1 commit
- Fixed an error in doxygen comments · 92727186
  peastman authored Mar 19, 2015
  
  92727186
16 Mar, 2015 1 commit
- Added updateParametersInContext() to CMAPTorsionForce, and implemented in reference platform · 474bbf7a
  peastman authored Mar 16, 2015
  
  474bbf7a
06 Mar, 2015 1 commit
- For multi-GPU, exceeding the size of the neighbor list causes the forces to be marked as invalid · bd666c27
  peastman authored Mar 06, 2015
  
  bd666c27
25 Feb, 2015 2 commits
- Further improvements to PNaCl vectors · 49cc84c4
  peastman authored Feb 25, 2015
  
  49cc84c4
- Optimizations to PNaCl vectors · d51ad3c3
  peastman authored Feb 24, 2015
  
  d51ad3c3
24 Feb, 2015 2 commits
- Fixed problems running in PNaCl · aa7bd1cf
  peastman authored Feb 24, 2015
  
  aa7bd1cf
- Avoid throwing exceptions internally when serializing States · e18eb785
  peastman authored Feb 23, 2015
  
  e18eb785
21 Feb, 2015 1 commit
- Deleted lots of debugging code · c44c956d
  peastman authored Feb 20, 2015
  
  c44c956d
20 Feb, 2015 1 commit
- Added removeForce() and removeConstraint() to System · 65d0449e
  peastman authored Feb 20, 2015
  
  65d0449e
13 Feb, 2015 1 commit
- Custom expressions support floor() and ceil(). · dce6a437
  peastman authored Feb 13, 2015
  
  dce6a437
17 Jan, 2015 1 commit
- Grammar fixes in the doxygen comments. · 6ad2aff3
  Jason Swails authored Jan 17, 2015
  
  6ad2aff3
10 Jan, 2015 1 commit
- Change comments so that it does not reference generating seeds from the clock. · d422c306
  Jason Swails authored Jan 10, 2015
  
  d422c306
09 Jan, 2015 2 commits
- Add a little more explanation. · 3129342e
  Jason Swails authored Jan 09, 2015
  
  3129342e
- Add notes in the doxygen comments about setRandomNumberSeed resulting in a · b705a22e
  Jason Swails authored Jan 09, 2015
```
"truly" random seed being generated from the wall clock upon Context creation.
```
  b705a22e
08 Jan, 2015 1 commit
- Do not allow Ewald to be used with triclinic boxes, since it isn't implemented. · 53690fef
  Peter Eastman authored Jan 08, 2015
  
  53690fef
05 Jan, 2015 3 commits
- Last one. · 10cb26a6
  Jason Swails authored Jan 05, 2015
  
  10cb26a6
- Oops, missed one. · 92cc4617
  Jason Swails authored Jan 05, 2015
  
  92cc4617
- Attempt to move the implementation of separate osrngseed() calls for each · e04a7368
  Jason Swails authored Jan 05, 2015
```
Context into the platform rather than hacked into getRandomNumberSeed...

Someone please check this.
```
  e04a7368
03 Jan, 2015 2 commits
- Make it so that getRandomNumberSeed by default returns a osrngseed() result, · 2284ac61
  Jason Swails authored Jan 03, 2015
```
rather than some pre-set seed generated at construction time.

Any call to "setRandomNumberSeed" prevents this behavior (unless the generator
is seeded with 0).
```
  2284ac61
- Changes to bring in line with SimTK style guide. · b8f6d269
  Jason Swails authored Jan 02, 2015
  
  b8f6d269