Commits · 1e42b8befa174bf3b4c7d19a4128d9456ebe6390 · tsoc / openmm

"plugins/rpmd/vscode:/vscode.git/clone" did not exist on "040420761dbfad158e8864f8c0e3f425ff84c436"

04 Mar, 2021 1 commit

Replaced several AMOEBA bonded forces with custom forces (#3046) · 1e42b8be

Peter Eastman authored Mar 04, 2021

* Replaced several AMOEBA bonded forces with custom forces

* Deleted obsolete AMOEBA forces

* Replaced AmoebaPiTorsionForce with custom force

1e42b8be

09 Apr, 2019 1 commit

Created HippoNonbondedForce (#2296) · 1eec1e15

peastman authored Apr 09, 2019

* Created API for HIPPO force field

* Beginning of reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Continuing reference implementation of HIPPO

* Completed reference of HIPPO with no cutoff

* Beginning cutoffs/PME for reference implementation of HIPPO

* Continuing PME for reference implementation of HIPPO

* Continuing PME for reference implementation of HIPPO

* Continuing PME for reference implementation of HIPPO

* Completed reference implementation of HIPPO

* Cleanup and optimization to HIPPO reference

* Further cleanup to HIPPO

* Combined direct space interactions into a single loop

* Compute direct space interactions in quasi-internal frame

* Beginning of CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Continuing CUDA implementation of HIPPO

* Finished CUDA implementation of HIPPO

* More features and test cases for HippoNonbondedForce

* Serialization and Python API for HippoNonbondedForce

* Fixed sign error in computing forces

1eec1e15

08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
26 Mar, 2013 1 commit
- Fixed compilation error on Windows · df265df8
  Peter Eastman authored Mar 26, 2013
  
  df265df8
28 Sep, 2012 1 commit
- Removed the word "harmonic" from lots of places it didn't belong, including class and method names · c6ebf6e2
  Peter Eastman authored Sep 28, 2012
  
  c6ebf6e2
27 Sep, 2012 1 commit
- Major cleanup of the AMOEBA API · 1db349e5
  Peter Eastman authored Sep 27, 2012
  
  1db349e5
26 Feb, 2011 1 commit
- Python API wrappers are now part of OpenMM · 65b9d0b6
  Peter Eastman authored Feb 26, 2011
  
  65b9d0b6
02 Feb, 2011 1 commit
- Modified OpenMMSerialization lib names for different OSs · a3b1009a
  Mark Friedrichs authored Feb 02, 2011
  
  a3b1009a
14 Jan, 2011 1 commit
- Mods to get compilation on Windows · 56e573e7
  Mark Friedrichs authored Jan 14, 2011
  
  56e573e7
11 Jan, 2011 1 commit
- edit/add AMOEBA serialization proxies · 1877eb67
  Mark Friedrichs authored Jan 11, 2011
  
  1877eb67
10 Jan, 2011 2 commits
- More serialization proxies · cf3d54fc
  Mark Friedrichs authored Jan 10, 2011
  
  cf3d54fc
- More serialization proxies and associated tests · 3c3df452
  Mark Friedrichs authored Jan 10, 2011
  
  3c3df452
07 Jan, 2011 1 commit
- Initial serialization proxies for Amoeba · 217b45d3
  Mark Friedrichs authored Jan 07, 2011
  
  217b45d3