A struct for holding GPU atom group buffers. More...
#include <colvaratoms_gpu.h>
Collaboration diagram for colvars_gpu::colvaratoms_gpu_buffer_t:
Public Attributes | |
| int * | d_atoms_index |
| GPU atom proxy indices (size: num_atoms) | |
| cvm::real * | d_atoms_pos |
| GPU atom positions (size: 3 * num_atoms) | |
| cvm::real * | d_atoms_charge |
| GPU atom charges (size: num_atoms) | |
| cvm::real * | d_atoms_vel |
| GPU atom velocities (size: 3 * num_atoms) | |
| cvm::real * | d_atoms_mass |
| GPU atom mass (size: num_atoms) | |
| cvm::real * | d_atoms_grad |
| GPU atom gradients (size: 3 * num_atoms) | |
| cvm::real * | d_atoms_total_force |
| GPU atom total forces (size: 3 * num_atoms) | |
| cvm::real * | d_atoms_weight |
| Atom masses divided by total mass (size: num_atoms) | |
| cvm::real * | d_atoms_applied_force |
| GPU atom applied force. | |
| cvm::real * | d_fit_gradients |
| GPU fit gradients. | |
| cvm::real * | d_ref_pos |
| GPU reference coordinates for f_ag_center or f_ag_rotate. | |
| cvm::real * | d_atoms_pos_unrotated |
| GPU atom positions (size: 3 * num_atoms) | |
| cvm::rvector * | d_com |
| GPU center-of-mass. | |
| cvm::rvector * | d_com_tmp |
| GPU temporary buffer for COM, used for avoiding memset. | |
| cvm::rvector * | d_cog |
| GPU center-of-geometry. | |
| cvm::rvector * | d_cog_tmp |
| GPU temporary buffer for COG, used for avoiding memset. | |
| cvm::rvector * | d_cog_orig |
| GPU center of geometry before any fitting. | |
| unsigned int * | d_com_cog_tbcount |
| GPU atomic counter for block reduction. | |
| cvm::rvector * | h_com |
| Center-of-mass on the host-pinned memory for CPU compatibility. | |
| cvm::rvector * | h_cog |
| Center-of-geometry on the host-pinned memory for CPU compatibility. | |
| cvm::rvector * | h_cog_orig |
| Center-of-geometry before any fitting on the host-pinned memory for CPU compatibility. | |
| cvm::rvector * | d_ref_pos_cog |
| GPU center of geometry of the reference coordinates. | |
Detailed Description
A struct for holding GPU atom group buffers.
The documentation for this struct was generated from the following file:
