platforms/cuda/src/kernels/gpu.cpp · f62ba9d889510f9a4218ccab4ff6318b221cdd2b · tsoc / openmm · GitLab

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Optimization to constraint algorithm: skip the last iteration as soon as we... · 7e73fadc
Peter Eastman authored Jun 11, 2009
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Optimization to constraint algorithm: skip the last iteration as soon as we see that all constraints have converged.
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7e73fadc

gpu.cpp 107 KB