Commits · f028c07d0bd733e227f9f016f8cd2f6661cbf62b · tsoc / openmm

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12 Jan, 2013 2 commits
- Modified the AmoebaMultipoleForce.getSystemMultipoleMoments method with two... · f028c07d
  Lee-Ping Wang authored Jan 12, 2013
```
Modified the AmoebaMultipoleForce.getSystemMultipoleMoments method with two extra arguments; toggle whether to evaluate energy/force and select maximum multipole order.
```
  f028c07d
- Fixed segfault when deleting the Context and Integrator in the wrong order · 1f7b71c5
  Peter Eastman authored Jan 12, 2013
  
  1f7b71c5
11 Jan, 2013 2 commits
- Adjusted a stochastic test case to make it fail less often · 50aa7171
  Peter Eastman authored Jan 11, 2013
  
  50aa7171
- Fixed a segfault in mixed precision mode · 77e0274d
  Peter Eastman authored Jan 11, 2013
  
  77e0274d
10 Jan, 2013 3 commits
- Added missing imports · 9ca5ce7f
  Peter Eastman authored Jan 10, 2013
  
  9ca5ce7f
- Prevent exception when calling getState() before step() has been called. · 1375899c
  Peter Eastman authored Jan 10, 2013
  
  1375899c
- Improved test cases for variable time step integrators · 30fa6ecb
  Peter Eastman authored Jan 10, 2013
  
  30fa6ecb
07 Jan, 2013 1 commit
- Fixed crashes in variable time step integrators · 042b8c2c
  Peter Eastman authored Jan 07, 2013
  
  042b8c2c
22 Dec, 2012 1 commit
- Further updates to manual for 5.0 · 94fd9e1d
  Peter Eastman authored Dec 22, 2012
  
  94fd9e1d
21 Dec, 2012 4 commits
- Updated Developer Guide for 5.0 · 1f37587d
  Peter Eastman authored Dec 21, 2012
  
  1f37587d
- Renamed a misnamed method in AmoebaMultipoleForce · 9b6e8314
  Peter Eastman authored Dec 21, 2012
  
  9b6e8314
- Improved Doxygen comments to mention updateParametersInContext(). · dcc334a9
  Peter Eastman authored Dec 21, 2012
  
  dcc334a9
- Improved Doxygen comments to mention updateParametersInContext(). · bc63b4b5
  Peter Eastman authored Dec 21, 2012
  
  bc63b4b5
18 Dec, 2012 3 commits
- Updated Python version number to 5.0. · e6220a01
  Peter Eastman authored Dec 18, 2012
  
  e6220a01
- Plugins were ignoring the options for whether to build OpenCL and CUDA test cases · c4e46a10
  Peter Eastman authored Dec 18, 2012
  
  c4e46a10
- Fixed compilation errors on some older compilers · 6a83f3ee
  Peter Eastman authored Dec 18, 2012
  
  6a83f3ee
17 Dec, 2012 2 commits
- Fixed bug in generating AMOEBA C/Fortran wrappers · ce22c4ed
  Peter Eastman authored Dec 17, 2012
  
  ce22c4ed
- Workaround for Visual Studio bug that causes very slow compilation · 28eebe64
  Peter Eastman authored Dec 17, 2012
  
  28eebe64
15 Dec, 2012 1 commit
- Improvement to Python documentation generation · 05416ef4
  Peter Eastman authored Dec 15, 2012
  
  05416ef4
14 Dec, 2012 7 commits
- Deleted obsolete documentation files · 4a733da3
  Peter Eastman authored Dec 14, 2012
  
  4a733da3
- Fixed compilation error on some compilers that weren't able to locate a header file. · a09f73ff
  Peter Eastman authored Dec 14, 2012
  
  a09f73ff
- Updated version number to 5.0 · 1a51d349
  Peter Eastman authored Dec 14, 2012
  
  1a51d349
- When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.... · 18355094
  Peter Eastman authored Dec 14, 2012
```
When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.  This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.
```
  18355094
- Added an ewaldErrorTolerance option to AmberPrmtopFile · a6bb39a3
  Peter Eastman authored Dec 14, 2012
  
  a6bb39a3
- Minor fixes · 39267487
  Peter Eastman authored Dec 14, 2012
  
  39267487
- Lots of updates for version 5.0 · d71e72fd
  Peter Eastman authored Dec 14, 2012
  
  d71e72fd
13 Dec, 2012 5 commits
- Serialization proxies were storing unnecessary information · f0151245
  Peter Eastman authored Dec 13, 2012
  
  f0151245
- Deleted obsolete CMake scripts · 182eb10c
  Peter Eastman authored Dec 13, 2012
  
  182eb10c
- testInstallation.py is better able to deal with errors · daedcdba
  Peter Eastman authored Dec 13, 2012
  
  daedcdba
- Deleted the old CUDA platform · 2e451b9d
  Peter Eastman authored Dec 13, 2012
  
  2e451b9d
- Fixed test failures on Windows · 352e2fc7
  Peter Eastman authored Dec 13, 2012
  
  352e2fc7
12 Dec, 2012 2 commits
- Compile kernels in 32 bit mode on 64 bit Windows · da66be82
  Peter Eastman authored Dec 12, 2012
  
  da66be82
- Fixed compilation errors on Windows · b256555e
  Peter Eastman authored Dec 12, 2012
  
  b256555e
11 Dec, 2012 2 commits
- Split a file to work around Visual Studio's limit on the length of string literals · 59b69776
  Peter Eastman authored Dec 11, 2012
  
  59b69776
- Added a missing const keyword · fb48658f
  Peter Eastman authored Dec 11, 2012
  
  fb48658f
07 Dec, 2012 3 commits
- CustomGBForce was storing computed values in single precision even when double was requested · 76f2e0b4
  Peter Eastman authored Dec 07, 2012
  
  76f2e0b4
- Workaround for very slow compilation on Windows · 084f034b
  Peter Eastman authored Dec 07, 2012
  
  084f034b
- Removed unnecessary calls to load plugins that produced errors · dde7b14b
  Peter Eastman authored Dec 07, 2012
  
  dde7b14b
06 Dec, 2012 2 commits
- Updates to chapter titles. Moved Intro and Installation chapters to the very beginning. · 066c571e
  Joy Ku authored Dec 06, 2012
  
  066c571e
- Fixed test failures caused by linking to the same library twice, once... · 26a34a73
  Peter Eastman authored Dec 06, 2012
```
Fixed test failures caused by linking to the same library twice, once statically and once dynamically
```
  26a34a73