Commits · fb0360604800bba836be24cd6e8adce8b22b258a · tsoc / openmm

11 May, 2022 1 commit
- Added FAQ links to error messages (#3600) · fb036060
  Peter Eastman authored May 11, 2022
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* Added FAQ links to error messages

* Added missing Windows export
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  fb036060
28 Feb, 2021 1 commit

Point based geometric functions for custom forces (#3037) · a85c2428

Peter Eastman authored Feb 28, 2021

* Began implementing geometric functions on points

* Started common implementation of point functions

* Completed implementation of point functions for CustomCompoundBondForce

* Implemented point functions for CustomCentroidBondForce

* Implemented point functions for CustomManyParticleForce

* Use point functions to simplify implementation of custom forces

* Removed unnecessary code

* Fixed typo

a85c2428

06 Mar, 2017 1 commit
- Use C++11 style loops · d314e695
  peastman authored Mar 06, 2017
  
  d314e695
21 Sep, 2016 1 commit
- updateParametersInContext() causes stateChanged() to be called · 599a2cda
  peastman authored Sep 21, 2016
  
  599a2cda
23 Sep, 2015 1 commit
- Added error checking for illegal variable names · 213fbc03
  Peter Eastman authored Sep 23, 2015
  
  213fbc03
05 Sep, 2014 1 commit
- Fixed error using type filters in UniqueCentralParticle mode · 2ad1f6db
  peastman authored Sep 05, 2014
  
  2ad1f6db
07 Aug, 2014 1 commit
- Finished reference implementation of CustomManyParticleForce · 0ca8bdee
  peastman authored Aug 06, 2014
  
  0ca8bdee
05 Aug, 2014 1 commit
- Began implementing CustomManyParticleForce · e1a378b7
  peastman authored Aug 05, 2014
  
  e1a378b7
30 Jan, 2014 1 commit
- Created OpenCL and CUDA implementations of Continuous3DFunction · 3279c73a
  peastman authored Jan 30, 2014
  
  3279c73a
15 Apr, 2013 1 commit
- Context constructor now uses const System&, guaranteeing that System won't be modified. · 0307a0db
  Yutong Zhao authored Apr 15, 2013
  
  0307a0db
07 Jun, 2012 1 commit
- Implemented updateParametersInContext() for five more Force classes · 99cebd08
  Peter Eastman authored Jun 07, 2012
  
  99cebd08
14 May, 2012 1 commit
- Created templatized interface for Kernel, which made a lot of code that invokes kernels cleaner. · b4044e73
  Peter Eastman authored May 14, 2012
  
  b4044e73
09 May, 2012 1 commit
- Created CustomCompoundBondForce, including reference implementation · 35aef079
  Peter Eastman authored May 09, 2012
  
  35aef079
14 Mar, 2012 1 commit
- Added missing return values · 15f58f1a
  Peter Eastman authored Mar 14, 2012
  
  15f58f1a
14 Feb, 2012 1 commit
- Created architecture for multiple time step integrators and completed reference implementation · 8ecf9e35
  Peter Eastman authored Feb 14, 2012
  
  8ecf9e35
12 Aug, 2010 1 commit

Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes... · a711ce2a

Peter Eastman authored Aug 12, 2010

Refactored ForceImpl, lots of KernelImpl subclasses, and other related classes to avoid redundant calculations when requesting a State with both forces and energies

a711ce2a

07 May, 2010 1 commit
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
14 Apr, 2010 1 commit
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
05 Mar, 2010 1 commit
- Redesigned CustomHbondForce to be more general · be137f98
  Peter Eastman authored Mar 05, 2010
  
  be137f98
23 Feb, 2010 1 commit
- Implemented CustomHbondForce, including reference implementation. · 140081ec
  Peter Eastman authored Feb 23, 2010
  
  140081ec