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Modified the OpenMM wrapper interface to support the strange CUDA platform implementa...
authorRossen Apostolov <rossen@cbr.su.se>
Thu, 26 Aug 2010 21:09:18 +0000 (23:09 +0200)
committerRossen Apostolov <rossen@cbr.su.se>
Thu, 26 Aug 2010 21:09:18 +0000 (23:09 +0200)
commita6f2e599cd7b060e3b47b19a1ef4b08a66a07d8c
tree0fe16575c5659d499aafe579731bc64f569f3e4ftree | snapshot
parent9ffb129916e065182fba1bae02fc7cfa72f3b6d6commit | diff
Modified the OpenMM wrapper interface to support the strange CUDA platform implementation.

The CUDA platform in OpenMM does not allow the user to generate more
than one instance of a force kernel object. That requires to pack
force field terms that have the same form into one instance,
e.g. Urey-Bradley and Bond/Angle, and the harmonic dihedrals.
src/kernel/openmm_wrapper.cpp diff | blob | history
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