Commits · 0b662b4991e37286331dd4b5755d53f2b79fd1dd · tsoc / openmm

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16 May, 2008 2 commits
- Implemented center of mass motion removal for OpenMM · 0b662b49
  Peter Eastman authored May 16, 2008
  
  0b662b49
- Modified OpenMM to use nm and kJ as units instead of angstroms and kcal · 07adfcbc
  Peter Eastman authored May 16, 2008
  
  07adfcbc
13 May, 2008 1 commit

Modified the initialization order of ForceImpls to prevent them from trying to... · 3d750e85

Peter Eastman authored May 13, 2008

Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen

3d750e85

02 May, 2008 1 commit
- Created reference implementation of AndersenThermostat · a5288d55
  Peter Eastman authored May 02, 2008
  
  a5288d55
22 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (kernels for StandardMMForceField are done). · 2a530882
  Peter Eastman authored Apr 22, 2008
  
  2a530882
17 Apr, 2008 1 commit

Created a test case for StandardMMForceFieldImpl's findExclusions() method. ... · 27a2456b

Peter Eastman authored Apr 17, 2008

Created a test case for StandardMMForceFieldImpl's findExclusions() method.  Fixed some bugs that it found.  Created a CMake script and configured it for building and running test cases.

27a2456b

16 Apr, 2008 1 commit
- Reorganization of the OpenMM source code · 6ddebdb2
  Peter Eastman authored Apr 16, 2008
  
  6ddebdb2