Commits · e8ab1faa6935028b005bb6457f7096bfd5885b91 · tsoc / openmm

18 Mar, 2016 3 commits
- Merge pull request #1425 from peastman/hetatm · e8ab1faa
  peastman authored Mar 18, 2016
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PDBFile writes HETATM for heterogens
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  e8ab1faa
- PDBFile writes HETATM for heterogens · f6973b92
  peastman authored Mar 18, 2016
  
  f6973b92
- Merge pull request #1424 from peastman/blockenums · 0d7cf997
  peastman authored Mar 18, 2016
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Renamed enums that caused Fortran compiler errors
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  0d7cf997
17 Mar, 2016 1 commit
- Renamed enums that caused Fortran compiler errors · 1647f1e9
  peastman authored Mar 17, 2016
  
  1647f1e9
14 Mar, 2016 3 commits
- Merge pull request #1420 from peastman/wrappergroups · 38f8d5f4
  peastman authored Mar 14, 2016
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C and Fortran wrappers support groups argument to getState()
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  38f8d5f4
- C and Fortran wrappers support groups argument to getState() · d2bf2685
  Peter Eastman authored Mar 14, 2016
  
  d2bf2685
- Merge pull request #1416 from peastman/docs · 96fbf8bb
  peastman authored Mar 14, 2016
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Can build manuals on Windows
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  96fbf8bb
11 Mar, 2016 1 commit
- Can build manuals on Windows · e179cadd
  peastman authored Mar 11, 2016
  
  e179cadd
04 Mar, 2016 2 commits
- Merge pull request #1407 from peastman/coefficients · 9b5b52f2
  peastman authored Mar 04, 2016
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Updated default coefficients for extrapolated polarization
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  9b5b52f2
- Updated default coefficients for extrapolated polarization · 71cb7358
  Peter Eastman authored Mar 04, 2016
  
  71cb7358
01 Mar, 2016 1 commit
- Merge pull request #1405 from pgrinaway/fix-3-member-rings · b768ff4a
  peastman authored Feb 29, 2016
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Fix 3 member rings
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  b768ff4a
29 Feb, 2016 3 commits
- make clearer · 6aea38c9
  pgrinaway authored Feb 29, 2016
  
  6aea38c9
- fix or -> and · 405607e0
  pgrinaway authored Feb 29, 2016
  
  405607e0
- check to make sure duplicate atoms are not assigned in torsions · 42b5a69c
  pgrinaway authored Feb 29, 2016
  
  42b5a69c
26 Feb, 2016 4 commits
- Merge pull request #1403 from peastman/neighbors · e1c49ebd
  peastman authored Feb 26, 2016
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Fixed a bug in CPU neighbor list with triclinic boxes
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  e1c49ebd
- Fixed a bug in CPU neighbor list with triclinic boxes · a4f7077b
  peastman authored Feb 26, 2016
  
  a4f7077b
- Merge pull request #1402 from peastman/ewaldenergy · 7633a01c
  peastman authored Feb 26, 2016
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Part of the Ewald energy was being returned even when that force group wasn't requested
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  7633a01c
- Part of the Ewald energy was being returned even when that force group wasn't requested · 34b7e213
  Peter Eastman authored Feb 26, 2016
  
  34b7e213
17 Feb, 2016 2 commits
- Merge pull request #1396 from jchodera/fix-packaging-scripts · 20af24c4
  peastman authored Feb 17, 2016
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Update packaging preparation scripts
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  20af24c4
- Update packaging preparation scripts · 3bc2008a
  jchodera authored Feb 17, 2016
  
  3bc2008a
15 Feb, 2016 1 commit
- Merge pull request #1369 from peastman/scripts · 2060b5b5
  peastman authored Feb 15, 2016
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Updates to packaging scripts for 7.0
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  2060b5b5
12 Feb, 2016 1 commit
- Fixed miniconda URL · 43214550
  Peter Eastman authored Feb 12, 2016
  
  43214550
10 Feb, 2016 2 commits
- Merge pull request #1360 from peastman/debugcl · 4c6503e0
  peastman authored Feb 10, 2016
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Debugging OpenCL errors on travis
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  4c6503e0
- Fixed errors in CustomManyParticleForce · a7ce5784
  peastman authored Jan 22, 2016
  
  a7ce5784
08 Feb, 2016 5 commits
- Another attempt at getting the docs to build correctly · 22697eb2
  peastman authored Feb 08, 2016
  
  22697eb2
- Merge pull request #1391 from peastman/xml · 9b892909
  peastman authored Feb 08, 2016
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irrXML supports numeric escapes
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  9b892909
- Merge branch 'scripts' of https://github.com/peastman/openmm into scripts · dbaeb984
  Peter Eastman authored Feb 08, 2016
  
  dbaeb984
- Make PythonInstall before trying to build Python API docs · 46fb5c51
  peastman authored Feb 08, 2016
  
  46fb5c51
- irrXML supports numeric escapes · 2f8448a5
  Peter Eastman authored Feb 08, 2016
  
  2f8448a5
07 Feb, 2016 2 commits
- Merge pull request #1388 from jchodera/forcefield · 40544daf
  peastman authored Feb 06, 2016
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Fix errors in sphinx formatting for docs
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  40544daf
- Turned on building documentation · 7a94dd92
  peastman authored Feb 06, 2016
  
  7a94dd92
06 Feb, 2016 2 commits
- Fix errors in sphinx formatting for docs · 4f629c8f
  John Chodera (MSKCC) authored Feb 05, 2016
  
  4f629c8f
- Merge pull request #1386 from peastman/dtglobal · fed2d322
  peastman authored Feb 05, 2016
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Fixed another error in CustomIntegrator
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  fed2d322
05 Feb, 2016 3 commits
- Fixed another error in CustomIntegrator · c13a8697
  Peter Eastman authored Feb 05, 2016
  
  c13a8697
- Merge pull request #1385 from jing-huang/drudefix · 90ddfc31
  peastman authored Feb 05, 2016
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bugfix on the ansiotropic polarizability for Drude force field
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  90ddfc31
- Merge branch 'master' into drudefix · 678cac1c
  Jing Huang authored Feb 05, 2016
  
  678cac1c
04 Feb, 2016 4 commits
- Merge pull request #1382 from peastman/temptype · 394551cc
  peastman authored Feb 04, 2016
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Fixed compilation error in double precision mode
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  394551cc
- Merge pull request #1384 from peastman/setglobal · 4beb144e
  peastman authored Feb 04, 2016
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Fixed error in computing global variables
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  4beb144e
- Fixed error in computing global variables · 5e6862fd
  Peter Eastman authored Feb 04, 2016
  
  5e6862fd
- Merge pull request #1381 from peastman/parallelpositions · 1085085d
  peastman authored Feb 04, 2016
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Parallelized the code for downloading positions
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  1085085d