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CUDAMeasureQCP.h File Reference

CUDA Quaternion Characteristic Polynomial calculation. More...

Go to the source code of this file.

Functions
int	qcp_soa_gpu_ooc (wkf_threadpool_t *devpool, int nfiles, const char **trjfileset, const AtomSel *sel, int first, int last, int step, float *rmsdmat)

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Detailed Description

CUDA Quaternion Characteristic Polynomial calculation.

Compute RMSD values for unaligned structures without actually performing the alginment. This is particularly useful for computing large dissimilarity matrices required for trajectory clustering analysis.

Definition in file CUDAMeasureQCP.h.

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Function Documentation

int qcp_soa_gpu_ooc (  wkf_threadpool_t *    devpool, int    nfiles, const char **    trjfileset, const AtomSel *    sel, int    first, int    last, int    step, float *    rmsdmat )

Definition at line 1050 of file CUDAMeasureQCP.cu. Referenced by measure_rmsdmat_qcp_ooc.

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