Commits · d80ddda33bffcd8600f04a014184396f3f6b2c2d · tsoc / openmm

Peter Eastman authored Dec 14, 2023

* Faster algorithm for DrudeSCFIntegrator

* Minor code simplification

* Reduced default error tolerance

* Fixed errors on NVIDIA

d80ddda3

29 Oct, 2019 1 commit
- make std::string pass as references, not values · 109a83de
  Frazer Leslie Clews authored Oct 24, 2019
  
  109a83de
13 Jan, 2017 1 commit
- Eliminated RealOpenMM type · a783b996
  peastman authored Jan 13, 2017
  
  a783b996
17 Sep, 2015 1 commit
- Reference implementation of hard wall constraint for DrudeLangevinIntegrator · 1dfa0e59
  peastman authored Sep 17, 2015
  
  1dfa0e59
06 Dec, 2013 1 commit
- Major simplification to constraint handling in reference platform · 4d25f4e7
  peastman authored Dec 06, 2013
  
  4d25f4e7
08 Jul, 2013 1 commit

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

23 May, 2013 1 commit
- Created DrudeSCFIntegrator, including reference implementation · 7cbb8a01
  peastman authored May 22, 2013
  
  7cbb8a01
15 May, 2013 2 commits
- Created CUDA implementation of DrudeForce and DrudeLangevinIntegrator · 09a8475d
  Peter Eastman authored May 15, 2013
  
  09a8475d
- Bug fixes to reference implementation of DrudeLangevinIntegrator · c7711f74
  Peter Eastman authored May 15, 2013
  
  c7711f74
14 May, 2013 1 commit
- Began implementing Drude plugin · 31d761d5
  Peter Eastman authored May 14, 2013
  
  31d761d5