- 10 Sep, 2019 2 commits
- 05 Sep, 2019 2 commits
-
-
peastman authored
Enable docker for GPU builds
-
Jason Swails authored
-
- 04 Sep, 2019 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
- 30 Aug, 2019 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
- 29 Aug, 2019 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
- 27 Aug, 2019 1 commit
-
-
Jason Swails authored
-
- 22 Aug, 2019 1 commit
-
-
Michael Schnieders authored
Improve the performance of sending the AmoebaVdwLambda to Cuda using pinned host memory; Updated the AmoebaVdwForceProxy to version 3, and added backward compatibility to version 2; updated TestAPIUnits.py to handle the per particle lambda flag
-
- 21 Aug, 2019 4 commits
-
-
Michael Schnieders authored
-
peastman authored
Force generators that don't use PME still accept it as a nonbonded method
-
peastman authored
-
Michael Schnieders authored
changed the type of the isAlchemical Cuda array to float, which is needed for the CudaNonbondedUtilities.addParameter method to work; the TestCudaAmoebaVdwForce now passes for its current set of tests, but new tests are needed to check the softcore behavior
-
- 20 Aug, 2019 5 commits
-
-
Michael Schnieders authored
-
Michael Schnieders authored
-
peastman authored
set currentStep in DCDReporter
-
Michael Schnieders authored
Rough draft AmoebaVdwForce Cuda code; next steps are to add CUDA kernal compilation support for USE_SOFTCORE, VDW_LAMBDA, VDW_SOFTCORE_POWER, VDW_SOFTCORE_ALPHA, and per particle isAlchemicalI / isAlchemicalJ flags
-
Andreas Krämer authored
-
- 19 Aug, 2019 2 commits
-
-
Michael Schnieders authored
Fixed units in swigInputConfig.py for new Alchemical AMOEBA vdW methods exposed in the OpenMM API; implemented the getDefaultParameters() on the AmoebaVdwForceImpl to return 1.0 for AmoebaVdwAlpha; Use AmoebaVdwForce::Lambda() to refer to this parameter rather than the String AmoebaVdwAlpha
-
Michael Schnieders authored
AMOEBA vdW softcore is propogated through the Reference platform; pending some feedback adding it to the CUDA code can begin
-
- 15 Aug, 2019 2 commits
-
-
Michael Schnieders authored
for the AmoebaVdwLambda global parameter was added that returns the parameter's name; added the value None to the AlchemicalMethod enumeration; provided default values for the isAlchemical flag
-
peastman authored
Updated CUDA versions listed in manual
-
- 14 Aug, 2019 2 commits
-
-
peastman authored
-
Michael Schnieders authored
-
- 12 Aug, 2019 3 commits
- 09 Aug, 2019 2 commits
-
-
Peter Eastman authored
-
peastman authored
Fixes for #2353
-
- 08 Aug, 2019 3 commits
-
-
Andreas Krämer authored
-
peastman authored
Updated some links for changed organization
-
peastman authored
-
- 06 Aug, 2019 5 commits
-
-
peastman authored
Fixed Bondi radius for Cl
-
peastman authored
Fix 2360
-
peastman authored
-
Jeff Wagner authored
-
Jeff Wagner authored
-