- 02 Sep, 2012 1 commit
-
-
Mark Friedrichs authored
Modified calculateElectrostaticPotentialForAtomGridPoint_kernel to apply periodic boundary conditions Unit test for multipole grid potential changed to system comprised of 216 water molecules; Tinker potential values now based on PBC
-
- 31 Jul, 2012 1 commit
-
-
Mark Friedrichs authored
Refactored code for calculating system multipole moments and multipole potential on a grid to separate files (removed from kCalculateAmoebaCudaRotateFrame.cu and kCalculateAmoebaCudaElectrostatic.cu)
-