Commits · 9cea4582c3be678ca422b7507ebce8daa26c0420 · tsoc / openmm

18 Jul, 2008 1 commit
- Implemented cutoffs for 1-4 nonbonded interactions · 9cea4582
  Peter Eastman authored Jul 18, 2008
  
  9cea4582
12 Jul, 2008 1 commit
- Implemented cutoffs and periodic boundary conditions for reference platform · f189c547
  Peter Eastman authored Jul 12, 2008
  
  f189c547
23 Jun, 2008 1 commit

Many changes to build OpenMM on Windows: · 90f31a68

Christopher Bruns authored Jun 23, 2008

1) Added DLL export macros to many classes; enough to get tests to compile
2) Cosmetic changes to reduce warnings in Visual Studio:
a) change many "for (int i ="... to "for (size_t i ="... to avoid unsigned mismatch warnings
b) included many explicit static_cast<OpenMMReal>() casts to document places where double->float conversion warnings occur

90f31a68

11 Jun, 2008 1 commit
- Prevent lots of memory allocation crashes on linux for the openmmapi test programs · dfe03fe9
  Christopher Bruns authored Jun 11, 2008
  
  dfe03fe9
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
02 May, 2008 1 commit
- Created reference implementation of AndersenThermostat · a5288d55
  Peter Eastman authored May 02, 2008
  
  a5288d55
29 Apr, 2008 3 commits
- Created reference implementation of VerletIntegrator · f14182c5
  Peter Eastman authored Apr 29, 2008
  
  f14182c5
- Created reference implementation of BrownianIntegrator · 5c4be2f0
  Peter Eastman authored Apr 29, 2008
  
  5c4be2f0
- 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
22 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform (kernels for StandardMMForceField are done). · 2a530882
  Peter Eastman authored Apr 22, 2008
  
  2a530882
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