Commits · 64b39ffdedacf45b621683cc5461ddbdcfa253e4 · tsoc / openmm

08 Oct, 2013 1 commit
- Lots of code cleanup related to constraints in the reference platform · e68df534
  peastman authored Oct 08, 2013
  
  e68df534
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

14 May, 2013 1 commit
- Cleaned up reference API for constraints · 6fabca14
  Peter Eastman authored May 14, 2013
  
  6fabca14
25 Jan, 2012 1 commit
- Tony's changes to fix errors on Windows · 832794f5
  Peter Eastman authored Jan 25, 2012
  
  832794f5
11 Jan, 2012 1 commit
- Fixed bug in velocity constraints · 8819c217
  Peter Eastman authored Jan 11, 2012
  
  8819c217
16 Dec, 2011 1 commit
- Implemented velocity constraints for CustomIntegrator · 50154b8b
  Peter Eastman authored Dec 16, 2011
  
  50154b8b
17 Mar, 2011 1 commit
- Further cleanup to reference platform - mostly deleting lots of unnecessary "default return" values · 8086b201
  Peter Eastman authored Mar 17, 2011
  
  8086b201
03 Jan, 2011 1 commit
- First stage of a refactoring to clean up the reference platform · 0843c5f3
  Peter Eastman authored Jan 03, 2011
  
  0843c5f3
21 Jul, 2010 1 commit
- Deleted lots of obsolete debugging code from the reference platform · b5858a8e
  Peter Eastman authored Jul 21, 2010
  
  b5858a8e
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
17 Jun, 2009 1 commit
- Eliminate two double-to-float conversion warnings by explicit casts to RealOpenMM. · 2763eed1
  Michael Sherman authored Jun 17, 2009
  
  2763eed1
12 Jun, 2009 1 commit
- Cleaned up constraint code and deleted obsolete constraint implementations · 05259f77
  Peter Eastman authored Jun 12, 2009
  
  05259f77
11 Jun, 2009 1 commit
- Optimization to constraint algorithm: skip the last iteration as soon as we... · 7e73fadc
  Peter Eastman authored Jun 11, 2009
```
Optimization to constraint algorithm: skip the last iteration as soon as we see that all constraints have converged.
```
  7e73fadc
03 Jun, 2009 1 commit
- Created initial CUDA implementation of new constraint algorithm · 47a6fb1e
  Peter Eastman authored Jun 03, 2009
  
  47a6fb1e
21 May, 2009 1 commit
- Working on new constraint algorithm · 6fd7f3bb
  Peter Eastman authored May 21, 2009
  
  6fd7f3bb
20 May, 2009 1 commit
- Improved how matrices get calculated for reference C-SHAKE algorithm. · 52c04559
  Peter Eastman authored May 20, 2009
  
  52c04559
14 May, 2009 1 commit

Eliminate some VC++ build problems via the usual expedient of explicit casts... · c99e7abd

Michael Sherman authored May 14, 2009

Eliminate some VC++ build problems via the usual expedient of explicit casts from unsigned to signed and from double to float. TNT Arrays apparently can't be indexed with unsigned because VC++ finds something ambiguous then above their operator[] methods.

c99e7abd

13 May, 2009 1 commit
- Completed Cuda implementation of CSHAKE algorithm · f329a047
  Peter Eastman authored May 13, 2009
  
  f329a047
12 May, 2009 1 commit
- Eliminate some VC++ unsigned/signed warnings. · 4ef9536e
  Michael Sherman authored May 12, 2009
  
  4ef9536e
06 May, 2009 2 commits
- Fixed a bug in random number generation for the CUDA platform. Updated test cases. · 852bfaea
  Peter Eastman authored May 06, 2009
  
  852bfaea
- Began CUDA implementation of C-SHAKE algorithm · b2da8475
  Peter Eastman authored May 06, 2009
  
  b2da8475
04 May, 2009 1 commit
- Eliminated some Windows build warnings. · 1775e497
  Michael Sherman authored May 04, 2009
  
  1775e497
01 May, 2009 1 commit
- Created reference implementation of rigid shake algorithm. Added the JAMA package to OpenMM. · 52a68c81
  Peter Eastman authored May 01, 2009
  
  52a68c81
08 Apr, 2009 1 commit
- Continuing implementation of LINCS for Cuda platform · 968cb132
  Peter Eastman authored Apr 08, 2009
  
  968cb132
31 Mar, 2009 1 commit
- Preliminary implementation of LINCS (both reference and Cuda) · 72872e97
  Peter Eastman authored Mar 31, 2009
  
  72872e97
29 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (implemented GBSA kernels, added... · 2cfc6821
  Peter Eastman authored Apr 29, 2008
```
Continuing to implement ReferencePlatform (implemented GBSA kernels, added test case for SHAKE and fixed some bugs in it)
```
  2cfc6821
25 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (implemented kinetic energy... · 85da5e0f
  Peter Eastman authored Apr 25, 2008
```
Continuing to implement ReferencePlatform (implemented kinetic energy calculation and LangevinIntegrator)
```
  85da5e0f
19 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform · 012b28e6
  Peter Eastman authored Apr 19, 2008
  
  012b28e6
18 Apr, 2008 1 commit
- Began implementing ReferencePlatform · e561a678
  Peter Eastman authored Apr 18, 2008
  
  e561a678
17 Apr, 2008 1 commit
- Moving the reference code into the platforms folder · 76e2849c
  Peter Eastman authored Apr 17, 2008
  
  76e2849c