Commits · adb5374a186e46eb0d3908aef67f87baff14cb76 · tsoc / openmm

23 Mar, 2011 4 commits
- Update to benchmarks and Amoeba plugin documentation · adb5374a
  Mark Friedrichs authored Mar 23, 2011
  
  adb5374a
- Fixed some uninitialized pointers · 65c025a1
  Peter Eastman authored Mar 23, 2011
  
  65c025a1
- Minor updates to developer guide · 986d393c
  Peter Eastman authored Mar 23, 2011
  
  986d393c
- Cleaning up Python build process · 2c39cb5e
  Peter Eastman authored Mar 23, 2011
  
  2c39cb5e
22 Mar, 2011 6 commits
- Updated version number to 3.0 · 1a50d0c1
  Peter Eastman authored Mar 22, 2011
  
  1a50d0c1
- Filled in some gaps in the documentation on building from source · 7a77b377
  Peter Eastman authored Mar 22, 2011
  
  7a77b377
- Fix for wrapper flag · 0b77a95b
  Mark Friedrichs authored Mar 22, 2011
  
  0b77a95b
- Removed debugging code that accidentally got left in · c12bac04
  Peter Eastman authored Mar 22, 2011
  
  c12bac04
- Disabled compiler optimizations for integrator kernels, since they caused excessive error on Fermi · 017e60c5
  Peter Eastman authored Mar 22, 2011
  
  017e60c5
- Trying to use an Integrator for multiple Contexts produces an exception · 7d4b549d
  Peter Eastman authored Mar 22, 2011
  
  7d4b549d
21 Mar, 2011 3 commits
- Python System objects can be pickled · 2b475dd3
  Peter Eastman authored Mar 21, 2011
  
  2b475dd3
- Include files for gcc 4.3 · 1e063047
  Mark Friedrichs authored Mar 21, 2011
  
  1e063047
- Include files added for gcc 4.3 · 17ab416a
  Mark Friedrichs authored Mar 21, 2011
  
  17ab416a
18 Mar, 2011 4 commits
- Minor improvements to Doxygen comments · 524bf8cb
  Peter Eastman authored Mar 18, 2011
  
  524bf8cb
- Completed first draft of developer guide · a82ce984
  Peter Eastman authored Mar 18, 2011
  
  a82ce984
- Update · cef46630
  Mark Friedrichs authored Mar 18, 2011
  
  cef46630
- Intermediate update · 524e8434
  Mark Friedrichs authored Mar 18, 2011
  
  524e8434
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
16 Mar, 2011 2 commits
- Deleted lots of obsolete code · 51475608
  Peter Eastman authored Mar 16, 2011
  
  51475608
- Beginning of OpenMM Developer Guide · 398f0609
  Peter Eastman authored Mar 16, 2011
  
  398f0609
14 Mar, 2011 2 commits
- Further updates to the manual for 3.0 · 7a8c2fea
  Peter Eastman authored Mar 14, 2011
  
  7a8c2fea
- Fixed compilation errors in debug mode · 3b859566
  Peter Eastman authored Mar 14, 2011
  
  3b859566
12 Mar, 2011 1 commit
- Further optimizations to units code · 1db8640d
  Peter Eastman authored Mar 12, 2011
  
  1db8640d
11 Mar, 2011 2 commits
- Fixed compilation errors on Windows · ee78f1e7
  Peter Eastman authored Mar 11, 2011
  
  ee78f1e7
- Updated build script to require CMake 2.8, since CMAKE_OSX_DEPLOYMENT_TARGET... · 0644bdd0
  Peter Eastman authored Mar 11, 2011
```
Updated build script to require CMake 2.8, since CMAKE_OSX_DEPLOYMENT_TARGET is not supported on 2.6.
```
  0644bdd0
09 Mar, 2011 1 commit
- Further optimizations to unit code · c3c84a28
  Peter Eastman authored Mar 09, 2011
  
  c3c84a28
08 Mar, 2011 1 commit
- Optimizations to unit conversion · 47ab0a62
  Peter Eastman authored Mar 08, 2011
  
  47ab0a62
07 Mar, 2011 1 commit
- Only call kCalculateCMAPTorsionForces() if numTorsions > 0 · 5adaa15e
  Mark Friedrichs authored Mar 07, 2011
  
  5adaa15e
05 Mar, 2011 2 commits
- More updates to the manual, particularly adding the section on the Python API · b66af9aa
  Peter Eastman authored Mar 05, 2011
  
  b66af9aa
- Fixed bugs in CMAPTorsionForce · a84a2997
  Peter Eastman authored Mar 05, 2011
  
  a84a2997
04 Mar, 2011 1 commit
- Fixed bug in shared memory indexing for CustomNonbondedForce · 551eb600
  Peter Eastman authored Mar 04, 2011
  
  551eb600
03 Mar, 2011 5 commits
- Use Peter's modified quantity.py · 1ef16124
  Christopher Bruns authored Mar 03, 2011
```
Change doctests to reflect better preservation of tuples in collections of collections.
Note that outer container is still converted to list...
```
  1ef16124
- Modified number of threeads used in Born sum reduction · c7a1ae89
  Mark Friedrichs authored Mar 03, 2011
  
  c7a1ae89
- Fixed round-off error that occasionally caused errors in the neighbor list · 0de92fdc
  Peter Eastman authored Mar 03, 2011
  
  0de92fdc
- Cache some units results for better performance. · 09f5cb4c
  Christopher Bruns authored Mar 03, 2011
  
  09f5cb4c
- Add optimization to possibly speed up units code. · 5a6ece03
  Christopher Bruns authored Mar 03, 2011
  
  5a6ece03
01 Mar, 2011 2 commits
- Fix for gcc 4.4.x · 05199afa
  Mark Friedrichs authored Mar 01, 2011
  
  05199afa
- Bug fix to python wrappers · f4c6e598
  Peter Eastman authored Mar 01, 2011
  
  f4c6e598
28 Feb, 2011 2 commits
- Remove reference to backdoor serialization · 0139d9b9
  Mark Friedrichs authored Feb 28, 2011
  
  0139d9b9
- Fix for gcc 4.4.x · 0304bced
  Mark Friedrichs authored Feb 28, 2011
  
  0304bced