Commits · e467d9da19a1c045d1b904b822d39dba3223de00 · schwede / openstructure · GitLab

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Aug 30, 2017
- Hack to make context reinitialization openmm version agnostic · e467d9da
  Studer Gabriel authored 7 years ago
  
  e467d9da
- Make sure position, velocity etc. information is preserved when reinitializeing openmm context · 8d872824
  Studer Gabriel authored 7 years ago
  
  8d872824
Nov 03, 2016
- Added static Simulation::IsPlatformAvailable method to check OpenMM platforms. · 2f3a3a68
  Gerardo Tauriello authored 8 years ago
  
  2f3a3a68
Oct 26, 2016
- Use new EnsurePluginsLoaded functionality in Simulation::Init. · 6fb44884
  Gerardo Tauriello authored 8 years ago
  
  6fb44884
- OpenMM plugin folders are only loaded once per path per execution. · 4b4401ea
  Gerardo Tauriello authored 8 years ago
  
  4b4401ea
Jul 09, 2016
- Resolve Bug... problems with Angstrom/Nanometer · 9655895b
  Studer Gabriel authored 8 years ago
  
  9655895b
Jul 01, 2016
- OpenMM plugin to create a density force · 36e42356
  Studer Gabriel authored 8 years ago
  36e42356
May 06, 2015
- the word rhythm contains two 'h'... · ab9951ef
  Studer Gabriel authored 10 years ago
  
  ab9951ef
Apr 30, 2015
- add licencing stuff on top of source files · 46980373
  Studer Gabriel authored 10 years ago
  
  46980373
Apr 28, 2015
- typo · cccc2714
  Studer Gabriel authored 10 years ago
  
  cccc2714
- allow to set platform specific properties e.g. to control the number · 5d1a865b
  Studer Gabriel authored 10 years ago
  5d1a865b
Apr 21, 2015
- get rid of mm prefixes since the stuff lives in the mm namespace anyway · b2f397b7
  Studer Gabriel authored 10 years ago
  
  b2f397b7
Apr 20, 2015
- allow to generate simulation without attaching an integrator to · fd9206bd
  Studer Gabriel authored 10 years ago
  fd9206bd
Mar 31, 2015
- Split Minimize Energy in simulation object into two functions · 6f93b6f1
  Studer Gabriel authored 10 years ago
  6f93b6f1
Mar 30, 2015
- use buffered edit mode when update entity positions · 966993d7
  Studer Gabriel authored 10 years ago
  
  966993d7
Feb 21, 2015
- silence some compiler warnings · 39a4a717
  Studer Gabriel authored 10 years ago
  
  39a4a717
Feb 19, 2015
- removed dependency on external libaries (OpenMM) in header files · d64856bb
  Studer Gabriel authored 10 years ago
  
  d64856bb
Jan 23, 2015
- make topology independent of entity handle to make more · f1e6408b
  Studer Gabriel authored 10 years ago
  f1e6408b
Nov 25, 2014
- the position list in set position should be const · 16f9a310
  Studer Gabriel authored 10 years ago
  
  16f9a310
Oct 30, 2014
- the original masses member variable is not really necessary · d7dd81d8
  Studer Gabriel authored 10 years ago
  
  d7dd81d8
- fixed typo · e19dda45
  Studer Gabriel authored 10 years ago
  
  e19dda45
Oct 29, 2014
- make it possible to dump full simulation to disk · 2d9a559b
  Studer Gabriel authored 10 years ago
  
  2d9a559b
Oct 28, 2014
- add possibility to save/load topology object · 455b8548
  Studer Gabriel authored 10 years ago
  
  455b8548
Oct 27, 2014
- removed some functionality to get rid of settings object in simulation · 87688908
  Studer Gabriel authored 10 years ago
  87688908
Sep 15, 2014
- initial commit for experimental molecular mechanics support using the · c83dc484
  Studer Gabriel authored 10 years ago
  c83dc484