CellGPU
0.8.0
GPU-accelerated simulations of cells
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Functions | |
__global__ void | NoseHooverChainNVT_prepare_KE_kernel (Dscalar2 *velocities, Dscalar *masses, Dscalar *keArray, int N) |
bool | gpu_prepare_KE_vector (Dscalar2 *velocities, Dscalar *masses, Dscalar *keArray, int N) |
(Dscalar) ans = (Dscalar2) vec1 . vec2 More... | |
__global__ void | NoseHooverChainNVT_scale_velocities_kernel (Dscalar2 *velocities, Dscalar *kineticEnergyScaleFactor, int N) |
bool | gpu_NoseHooverChainNVT_scale_velocities (Dscalar2 *velocities, Dscalar *kineticEnergyScaleFactor, int N) |
Rescale the velocities according to the given scale factor. More... | |
__global__ void | NoseHooverChainNVT_update_velocities_kernel (Dscalar2 *velocities, Dscalar2 *forces, Dscalar *masses, Dscalar deltaT, int N) |
bool | gpu_NoseHooverChainNVT_update_velocities (Dscalar2 *velocities, Dscalar2 *forces, Dscalar *masses, Dscalar deltaT, int N) |
update the velocities according to the forces and the masses More... | |
Defines kernel callers and kernels for GPU calculations for integrating the NH equations of motion