Commits · 95711b88972fc44e58badcdf521834961d587d11 · tsoc / openmm

08 Oct, 2018 1 commit
- Optimizations to Python code · 2a6a5edc
  peastman authored Oct 08, 2018
  
  2a6a5edc
26 Sep, 2017 1 commit
- Changed format to 'pdbx' for consistency within the test framework. Added... · 42a6db25
  João Rodrigues authored Sep 25, 2017
```
Changed format to 'pdbx' for consistency within the test framework. Added 'cif' to CMakeLists.txt for correctness for the future
```
  42a6db25
08 Sep, 2016 2 commits
- only DESTDIR makes sense for --root · 0ae80fdc
  James W. Barnett authored Sep 08, 2016
  
  0ae80fdc
- support DESTDIR and CMAKE_INSTALL_PREFIX in PythonInstall · 90d90b2d
  James W. Barnett authored Sep 08, 2016
  
  90d90b2d
29 Jun, 2016 1 commit
- Fixed code that checks SWIG version · 14b65c10
  peastman authored Jun 29, 2016
  
  14b65c10
24 Mar, 2016 1 commit
- Require SWIG 3.0.5 or later · 06818d80
  peastman authored Mar 23, 2016
  
  06818d80
26 Jan, 2016 1 commit
- Install typemaps.i for use by plugins · 97fa20a0
  peastman authored Jan 26, 2016
  
  97fa20a0
12 Dec, 2015 1 commit
- Add OpenCL to Appveyor and fix nosetests · a802dfc2
  Robert T. McGibbon authored Dec 10, 2015
  
  a802dfc2
04 Nov, 2015 1 commit
- Remove unused file · 85bfd73c
  Robert McGibbon authored Nov 04, 2015
  
  85bfd73c
07 Oct, 2015 1 commit
- Add par*.inp files rq for test to CMake rule · 50088908
  M J Harvey authored Oct 07, 2015
  
  50088908
05 Aug, 2015 1 commit
- Support modern swig, strip units on the C++ side of the swig wrappers. · b0baa00d
  Robert McGibbon authored Jul 09, 2015
  
  b0baa00d
05 Jul, 2015 1 commit
- Swig cmake version check · 720360c5
  Robert McGibbon authored Jul 04, 2015
  
  720360c5
09 Feb, 2015 1 commit
- Continuing triclinic box support in Python layer · 0a0f0214
  Peter Eastman authored Feb 09, 2015
  
  0a0f0214
07 Feb, 2015 1 commit
- Adding triclinic box support to Python layer · 4e62a24f
  Peter Eastman authored Feb 06, 2015
  
  4e62a24f
21 Jul, 2014 2 commits
- Make sure the parameter file gets copied over. · 920ddf97
  Jason Swails authored Jul 21, 2014
  
  920ddf97
- Make sure the necessary files get copied over. · b5c88967
  Jason Swails authored Jul 21, 2014
  
  b5c88967
17 Jul, 2014 1 commit
- Make sure inpcrd files are copied to the build directory. · eb6cbd04
  Jason Swails authored Jul 17, 2014
  
  eb6cbd04
27 May, 2014 2 commits
- The natom attribute is only part of the private objects -- this should hopefully · 073ea181
  Jason Swails authored May 27, 2014
```
fix the remaining CI issues.

Also make sure .ncrst files are copied over in the test directory.
```
  073ea181
- Copy over all parm7 and rst7 files as well... · d8539fd6
  Jason Swails authored May 27, 2014
  
  d8539fd6
10 Apr, 2014 1 commit
- Add the PSF files and CHARMM 22 files to the install lists (I think?? I've never · 77b4ddf3
  Jason Swails authored Apr 10, 2014
```
really used CMake in-depth before).

Hopefully this fixes the Travis-CI build failures.
```
  77b4ddf3
04 Apr, 2014 1 commit
- Install SWIG interface definition to the include directory, so outside plugins... · a74e4b1e
  peastman authored Apr 04, 2014
```
Install SWIG interface definition to the include directory, so outside plugins can use it when building their Python APIs
```
  a74e4b1e
26 Feb, 2014 1 commit
- Add .dms file to cmake lists to copy into build directory · 50eb8102
  Robert McGibbon authored Feb 26, 2014
  
  50eb8102
16 Jan, 2014 1 commit
- Ensure that PYTHON_EXECUTABLE is visible to all CMake scripts · 9e2c6b06
  Peter Eastman authored Jan 16, 2014
  
  9e2c6b06
23 Aug, 2013 1 commit
- Stage python app tests in the build directory · 7e8da785
  Robert McGibbon authored Aug 22, 2013
  
  7e8da785
02 Aug, 2013 1 commit
- Get the version number from the CMake script · 54ef6b4c
  peastman authored Aug 02, 2013
  
  54ef6b4c
01 Aug, 2013 2 commits
- dont want to double quote · 4ed33ef5
  Robert McGibbon authored Aug 01, 2013
  
  4ed33ef5
- create a simtk.openmm.version module that contains the git revision · 509373c6
  Robert McGibbon authored Aug 01, 2013
  
  509373c6
17 May, 2013 1 commit
- Created Python wrapper for Drude plugin · a9f16906
  Peter Eastman authored May 17, 2013
  
  a9f16906
21 Nov, 2012 1 commit
- Removed references to free energy plugin · dabb49a7
  Peter Eastman authored Nov 21, 2012
  
  dabb49a7
30 Mar, 2012 1 commit

Use Doxygen to generate API docs for Python. This involved lots of changes... · cf4c2287

Peter Eastman authored Mar 30, 2012

Use Doxygen to generate API docs for Python.  This involved lots of changes both to Python API generation and to Doxygen doc generation.

cf4c2287

21 Mar, 2012 1 commit
- Generate Python wrapper for RPMDIntegrator · a57facb4
  Peter Eastman authored Mar 21, 2012
  
  a57facb4
08 Feb, 2012 1 commit
- Implemented addSolvent() · 15c272fd
  Peter Eastman authored Feb 08, 2012
  
  15c272fd
07 Nov, 2011 1 commit
- Moved OpenMM app into the main OpenMM project · ccc0ba85
  Peter Eastman authored Nov 07, 2011
  
  ccc0ba85
23 Mar, 2011 1 commit
- Cleaning up Python build process · 2c39cb5e
  Peter Eastman authored Mar 23, 2011
  
  2c39cb5e
21 Mar, 2011 1 commit
- Python System objects can be pickled · 2b475dd3
  Peter Eastman authored Mar 21, 2011
  
  2b475dd3
28 Feb, 2011 1 commit
- Renamed simtk.chem.openmm to simtk.openmm · e49bc83f
  Peter Eastman authored Feb 28, 2011
  
  e49bc83f
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6