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