Commits · bb3073d4f3722abeb4f215f358f5ae709c996ad0 · tsoc / openmm

23 Jul, 2025 1 commit

Virtual site for symmetric molecules (#4185) · bb3073d4

Peter Eastman authored Jul 23, 2025

* Reference implementation of SymmetrySite

* Common implementation of SymmetrySite

* Removed duplicated code

* Serialization for SymmetrySite

* Fixed compilation error building C wrapper

* Added SymmetrySite to user guide

* Bug fix

* Added P21 test case

bb3073d4

16 Dec, 2024 1 commit
- Prevent extra force evaluations with NoseHooverIntegrator (#4753) · 87810125
  Peter Eastman authored Dec 16, 2024
  
  87810125
05 May, 2020 1 commit

Minor fixes to Nose Hoover code (#2670) · 389f79e6

peastman authored May 05, 2020

* Fixed OpenCL compiler errors

* Fixed incorrect references to BAOAB

* Fixed a method that was incorrectly made public

389f79e6

04 May, 2020 1 commit

Nosé Hoover Middle scheme (#2600) · 5f374e1d

Andy Simmonett authored May 04, 2020

* Convert Nose-Hoover into LF middle scheme by copying NH kernels

* Rebrand VelocityVerletIntegrator as NoseHooverIntegrator

* Consolidate NH tests

* NoseHooverChainKernel begone

* Make Windows builds happy

* Add missing header for Windows build

* Fix mistake in CommonKernels header

* Add 6th Yoshida-Suzuki and make it the default

5f374e1d

07 Nov, 2019 1 commit
- Fix reference pair integrator, implement hardwall constraint with test · 512328b2
  Andy Simmonett authored Nov 07, 2019
  
  512328b2
24 Oct, 2019 2 commits
- Nose-Hoover chain no longer derives from Force · 182f7f15
  Andy Simmonett authored May 22, 2019
  
  182f7f15
- Initial velocity verlet, with some nose hoover implementation · c692624f
  Andy Simmonett authored May 08, 2019
  
  c692624f
13 Jan, 2017 1 commit
- Eliminated RealOpenMM type · a783b996
  peastman authored Jan 13, 2017
  
  a783b996
20 Feb, 2015 2 commits
- Cleaned up lots of formatting to be more consistent with the rest of OpenMM · 7fb10336
  peastman authored Feb 20, 2015
  
  7fb10336
- Moved reference platform classes into OpenMM namespace · 9111cca0
  peastman authored Feb 20, 2015
  
  9111cca0
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

Platform specific header files get installed. This allows plugins to be built... · 300758a5

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

19 Jan, 2012 1 commit
- Implemented virtual sites for reference platform · fd01aa58
  Peter Eastman authored Jan 19, 2012
  
  fd01aa58
17 Mar, 2011 1 commit
- Further cleanup to reference platform - mostly deleting lots of unnecessary "default return" values · 8086b201
  Peter Eastman authored Mar 17, 2011
  
  8086b201
03 Jan, 2011 1 commit
- First stage of a refactoring to clean up the reference platform · 0843c5f3
  Peter Eastman authored Jan 03, 2011
  
  0843c5f3
21 Jul, 2010 1 commit
- Deleted lots of obsolete debugging code from the reference platform · b5858a8e
  Peter Eastman authored Jul 21, 2010
  
  b5858a8e
29 Apr, 2008 2 commits
- Created reference implementation of VerletIntegrator · f14182c5
  Peter Eastman authored Apr 29, 2008
  
  f14182c5
- Created reference implementation of BrownianIntegrator · 5c4be2f0
  Peter Eastman authored Apr 29, 2008
  
  5c4be2f0
18 Apr, 2008 1 commit
- Began implementing ReferencePlatform · e561a678
  Peter Eastman authored Apr 18, 2008
  
  e561a678
17 Apr, 2008 1 commit
- Moving the reference code into the platforms folder · 76e2849c
  Peter Eastman authored Apr 17, 2008
  
  76e2849c