Commits · 1344f2e0714dc035d7abf7bc4b4435793da8e7ab · tsoc / openmm

"wrappers/python/src/vscode:/vscode.git/clone" did not exist on "c0687411fa832de8a6bbd8e4fef9c1d38bfb45d2"

30 Mar, 2021 3 commits
- Fix simtk import in User Guide · dabc249c
  John Chodera authored Mar 30, 2021
  
  dabc249c
- simtk.openmm -> openmm namespace · 40cc309d
  John Chodera authored Mar 30, 2021
  
  40cc309d
- Update openforcefield namespace to new conda-forge namespace (openforcefield -> openff.toolkit) · dc6c191a
  John Chodera authored Mar 29, 2021
  
  dc6c191a
16 Mar, 2021 1 commit
- Fixed error in instructions for installing CUDA toolkit (#3070) · 8c5479c5
  Peter Eastman authored Mar 16, 2021
  
  8c5479c5
01 Feb, 2021 1 commit

Top level Python module is now "openmm" (#3000) · e53bdc5e

Peter Eastman authored Feb 01, 2021

* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning

e53bdc5e

26 Jan, 2021 1 commit
- Fixed broken links, removed Tinker-OpenMM section (#2995) · 909125ff
  Peter Eastman authored Jan 26, 2021
  
  909125ff
24 Nov, 2020 1 commit
- Add a little note on conda versions (#2934) · 83e92131
  Jaime Rodríguez-Guerra authored Nov 24, 2020
  
  83e92131
23 Nov, 2020 1 commit
- Update installation instructions for the new conda-forge packages (#2918) · 89eec67c
  Jaime Rodríguez-Guerra authored Nov 23, 2020
```
* Start branch

* Update installation instructions for conda-forge

* Update instructions for openmm-setup and openmmforcefields
```
  89eec67c
29 Aug, 2020 1 commit
- Add brief reference and examples to openmmforcefields to user guide (#2820) · 185dca21
  John Chodera authored Aug 29, 2020
  
  185dca21
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
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
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
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 1 commit
- CHARMM36 and Amber14 doc improvements · 12dedfa1
  John Chodera authored May 11, 2018
  
  12dedfa1
21 Feb, 2018 1 commit
- Added switchDistance option to ForceField.createSystem() · fea6d6f6
  peastman authored Feb 20, 2018
  
  fea6d6f6
08 Jan, 2018 1 commit
- Added link to openmm-forcefields in the manual · 914bf967
  peastman authored Jan 08, 2018
  
  914bf967
05 Dec, 2017 1 commit
- Documentation updates for 7.2 · 1bcd08d7
  peastman authored Dec 05, 2017
  
  1bcd08d7
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
14 Apr, 2017 1 commit
- ForceFields can include other files · e0462958
  peastman authored Apr 14, 2017
  
  e0462958
05 Apr, 2017 1 commit
- Added user guide and bibliography entry · 6f80b44e
  Lee-Ping Wang authored Apr 05, 2017
  
  6f80b44e
26 Jan, 2017 1 commit
- Updated documentation for dispersion PME · a9b636aa
  Peter Eastman authored Jan 26, 2017
  
  a9b636aa