colvars_gpu::colvaratoms_gpu_calc_fit_info_t Struct Reference

A struct for temporary variables for calculating the fit gradients. More...

#include <colvaratoms_gpu.h>

Collaboration diagram for colvars_gpu::colvaratoms_gpu_calc_fit_info_t:

Public Attributes
double3 *	d_atom_grad
	Fit gradients due to centering.
double *	d_sum_dxdq
	Gradients of the CV with respect to the quaternion.
cvm::rmatrix *	d_dxdC
	Gradients of the CV with respect to the correlation matrix.
unsigned int *	d_tbcount
	GPU atomic counter for block reduction.

Detailed Description

A struct for temporary variables for calculating the fit gradients.

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The documentation for this struct was generated from the following file:

• colvaratoms_gpu.h