"vscode:/vscode.git/clone" did not exist on "e09764b551cd8ee53719ec26a846497292542773"
  1. 04 Mar, 2021 1 commit
  2. 09 Apr, 2019 1 commit
    • peastman's avatar
      Created HippoNonbondedForce (#2296) · 1eec1e15
      peastman authored
      * 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
  3. 28 Sep, 2012 1 commit
  4. 27 Sep, 2012 1 commit
  5. 07 Jan, 2011 1 commit
  6. 05 Jan, 2011 1 commit
  7. 10 Nov, 2010 1 commit
  8. 24 Aug, 2010 1 commit
  9. 22 Jul, 2010 1 commit
  10. 03 Nov, 2009 1 commit
    • Mark Friedrichs's avatar
      dded GB/VI to Cuda platform · 7a36f461
      Mark Friedrichs authored
      Free energy plugin added
      Plugin will not run w/ Obc or GB/VI forces unless line 2004 of gpu.cpp (gpu->sim.totalNonbondOutputBuffers  = 2*gpu->sim.nonbondOutputBuffers;) is commented in -- working on removing this constraint
      Also unit tests for GB/VI currently fail 
      7a36f461
  11. 21 Apr, 2009 1 commit
  12. 16 Oct, 2008 1 commit
  13. 16 May, 2008 1 commit
  14. 19 Apr, 2008 1 commit
  15. 16 Apr, 2008 1 commit