Commits · cea03eea70ed71f248dbeb6ea447e83053e5c6af · tsoc / openmm

18 Aug, 2020 1 commit

Updated to latest values for physical constants (#2802) · b4543a46

peastman authored Aug 18, 2020

* Updated to latest values for physical constants

* Updated documentation on physical constants

* Updated Python unit definitions

* Fixed constants in test case

* Added a comment

b4543a46

15 Jun, 2020 2 commits
- Recommend 1/ps interaction frequency · 22b40d34
  Andy Simmonett authored Jun 15, 2020
  
  22b40d34
- Clean up application.rst blurb · 4603c429
  Andy Simmonett authored Jun 15, 2020
  
  4603c429
11 Jun, 2020 1 commit
- Added 2019 CHARMM polarizable force field · 5c83e423
  peastman authored Jun 11, 2020
  
  5c83e423
27 May, 2020 1 commit
- Added Integrator.setIntegrationForceGroups() · 4a30156a
  peastman authored May 27, 2020
  
  4a30156a
22 May, 2020 1 commit
- Documentation for MTSLangevinIntegrator · fab264a8
  peastman authored May 22, 2020
  
  fab264a8
30 Mar, 2020 1 commit
- Add more info to NH integrator docs · 5dedeec9
  Andy Simmonett authored Mar 30, 2020
  
  5dedeec9
28 Mar, 2020 2 commits
- Add Drude blurb · c65c6b28
  Andy Simmonett authored Mar 27, 2020
  
  c65c6b28
- Add brief blurb for NH integrator · 1898d48a
  Andy Simmonett authored Mar 27, 2020
  
  1898d48a
15 Feb, 2020 2 commits
- Minor fixes to user guide · cc59da1a
  peastman authored Feb 14, 2020
  
  cc59da1a
- Updated documentation on LangevinMiddleIntegrator · 266041c0
  Peter Eastman authored Feb 14, 2020
  
  266041c0
14 Feb, 2020 1 commit
- Renamed BAOABLangevinIntegrator to LangevinMiddleIntegrator · 65ee8fd7
  Peter Eastman authored Feb 14, 2020
  
  65ee8fd7
17 Jan, 2020 1 commit
- Updated simulation parameters in documentation and examples · ad35dab4
  peastman authored Jan 17, 2020
  
  ad35dab4
16 Jan, 2020 1 commit
- Updates to documentation · 29a9edb9
  peastman authored Jan 16, 2020
  
  29a9edb9
04 Jan, 2020 1 commit
- Fix typo, and add documentation for 'ordering' · 4f48402f
  John Chodera authored Jan 04, 2020
  
  4f48402f
21 Oct, 2019 1 commit
- Updated documentation and examples to include BAOABLangevinIntegrator · e1aec292
  peastman authored Oct 21, 2019
  
  e1aec292
14 Aug, 2019 1 commit
- Updated CUDA versions listed in manual · f8df7217
  peastman authored Aug 14, 2019
  
  f8df7217
29 Jul, 2019 1 commit
- Added description of enhanced sampling methods to manual · c3d58d2d
  peastman authored Jul 29, 2019
  
  c3d58d2d
04 Apr, 2019 1 commit
- Fix unicode error in sphinx compilation · 3a8941b5
  John Chodera authored Apr 03, 2019
  
  3a8941b5
21 Mar, 2019 1 commit
- Document that atan2 can be used in custom expressions · b24c1d1a
  peastman authored Mar 21, 2019
  
  b24c1d1a
26 Nov, 2018 1 commit
- Document cython as a dependency, and remove obsolete instructions · dfeeca4a
  peastman authored Nov 26, 2018
  
  dfeeca4a
27 Sep, 2018 1 commit
- Updated installation instructions · c03c3fb5
  peastman authored Sep 27, 2018
  
  c03c3fb5
15 May, 2018 1 commit
- Fix typo · f0e76295
  John Chodera authored May 15, 2018
  
  f0e76295
14 May, 2018 2 commits
- Repeat PSF suggestion · b15f87e7
  John Chodera authored May 14, 2018
  
  b15f87e7
- Incorporate feedback from Peter Eastman · 992eab16
  John Chodera authored May 14, 2018
  
  992eab16
11 May, 2018 2 commits
- CHARMM36 and Amber14 doc improvements · 12dedfa1
  John Chodera authored May 11, 2018
  
  12dedfa1
- Increase docs toctree depth to 4 to allow force fields to be listed for easy searching · 4c012146
  John Chodera authored May 11, 2018
  
  4c012146
21 Feb, 2018 1 commit
- Added switchDistance option to ForceField.createSystem() · fea6d6f6
  peastman authored Feb 20, 2018
  
  fea6d6f6
24 Jan, 2018 1 commit
- Documentation for RMSDForce · 107f4580
  Peter Eastman authored Jan 24, 2018
  
  107f4580
08 Jan, 2018 1 commit
- Added link to openmm-forcefields in the manual · 914bf967
  peastman authored Jan 08, 2018
  
  914bf967
06 Dec, 2017 1 commit
- Improved documentation on how to set parameters · 46f889dd
  peastman authored Dec 05, 2017
  
  46f889dd
05 Dec, 2017 1 commit
- Documentation updates for 7.2 · 1bcd08d7
  peastman authored Dec 05, 2017
  
  1bcd08d7
01 Dec, 2017 1 commit
- Eliminate stray non-ASCII characters from references.bib since this breaks sphinx · 5e35cd7a
  jchodera authored Dec 01, 2017
  
  5e35cd7a
29 Nov, 2017 1 commit
- Added documentation for building membranes · 1d97e9ff
  peastman authored Nov 29, 2017
  
  1d97e9ff
28 Nov, 2017 1 commit
- Added new Amber and CHARMM force fields · 9d9a3f4f
  peastman authored Nov 28, 2017
  
  9d9a3f4f
22 Nov, 2017 1 commit
- Improvement to processing of includes in force fields · 4111024b
  peastman authored Nov 22, 2017
  
  4111024b
08 Sep, 2017 1 commit
- Reporters can request wrapped or unwrapped coordinates · ce423ce1
  peastman authored Sep 08, 2017
  
  ce423ce1
18 Jul, 2017 1 commit
- ForceField supports LocalCoordinatesSite depending on arbitrary particles · ea7f44b2
  peastman authored Jul 18, 2017
  
  ea7f44b2
16 Jun, 2017 1 commit
- Added CustomCVForce to manual · 03a2eec0
  Peter Eastman authored Jun 16, 2017
  
  03a2eec0
04 May, 2017 1 commit
- Update AMBER-FB15 citation with journal information · d5b693e1
  Lee-Ping Wang authored May 04, 2017
  
  d5b693e1