"vscode:/vscode.git/clone" did not exist on "c720555adc4ea192a55c101deafcd96daa8ee6b1"
- 21 Apr, 2016 1 commit
-
-
Peter Eastman authored
-
- 20 Apr, 2016 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 13 Apr, 2016 1 commit
-
-
Peter Eastman authored
-
- 04 Mar, 2016 1 commit
-
-
Peter Eastman authored
-
- 03 Feb, 2016 1 commit
-
-
Jing Huang authored
-
- 14 Jan, 2016 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 13 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 12 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 11 Jan, 2016 2 commits
-
-
Jason Swails authored
errors.
-
Jason Swails authored
This copies the fix for the AmoebaTorsionTorsionForce over to the other two forces that calculate angles via the inverse cosine -- specifically the in-plane angle force and the stretch-bend force. The TorsionTorsion fix did not completely solve the occasional simulation blowup, although it did make it a *lot* less frequent (it went from happening within 5 minutes to happening ~once per day).
-
- 09 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 07 Jan, 2016 3 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
Peter Eastman authored
-
- 06 Jan, 2016 1 commit
-
-
Robert McGibbon authored
-
- 05 Jan, 2016 1 commit
-
-
Peter Eastman authored
-
- 19 Dec, 2015 1 commit
-
-
Peter Eastman authored
-
- 16 Dec, 2015 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 09 Dec, 2015 5 commits
-
-
Andy Simmonett authored
-
Andy Simmonett authored
-
Andy Simmonett authored
The forces were not correct for different uind/uinp as a result.
-
Andy Simmonett authored
-
Andy Simmonett authored
-
- 08 Dec, 2015 2 commits
-
-
Andy Simmonett authored
-
Andy Simmonett authored
Non-PME OPT calculations now use a much more efficient Cartesian field algorithm for the dipole response force terms.
-
- 23 Nov, 2015 1 commit
-
-
peastman authored
-
- 05 Nov, 2015 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
These are worth fixing because they're in header files that are always included (rather than just hitting them at OpenMM compile-time). The SWIG interface now builds without warnings on my machine.
-
- 03 Nov, 2015 2 commits
-
-
Robert McGibbon authored
-
Robert McGibbon authored
Swigged python docstrings now include documented return values and type information or their arguments. They are generated in numpydoc format. Furthermore, all of the Python app layer docstrings have been changed to numpydoc format. The filterPythonFiles.py script which helps to generate the Doxygen Python API docs has been updated to reflect these changes.
-
- 02 Nov, 2015 1 commit
-
-
Robert McGibbon authored
-
- 26 Oct, 2015 1 commit
-
-
Robert T. McGibbon authored
New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS, OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled in the OpenCL test matrix element to increase speed. Redundant or unnecessary apt packages removed from the travis installation.
-
- 07 Oct, 2015 1 commit
-
-
Peter Eastman authored
-
- 06 Oct, 2015 1 commit
-
-
Peter Eastman authored
-
- 05 Oct, 2015 1 commit
-
-
Peter Eastman authored
-
- 02 Oct, 2015 1 commit
-
-
Peter Eastman authored
-
- 29 Sep, 2015 1 commit
-
-
Jason Swails authored
- Remove API change for AmoebaAngleForce so it goes back to only taking degrees. Handle conversion via a pythonprepend (since stripUnits is done in C++ now). - Do the same thing for TorsionTorsionForce, since angles are in degrees again - Add AmoebaVdwForce and AmoebaWcaForce tests
-