Gromacs  2020.4
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Groups Pages
List of all members | Public Attributes
PmeGpuConstParams Struct Reference

#include <gromacs/ewald/pme_gpu_types.h>

Description

A GPU data structure for storing the constant PME data. This only has to be initialized once.

Public Attributes

float elFactor
 Electrostatics coefficient = ONE_4PI_EPS0 / pme->epsilon_r.
 
DeviceBuffer< float > d_virialAndEnergy
 Virial and energy GPU array. Size is PME_GPU_ENERGY_AND_VIRIAL_COUNT (7) floats. The element order is virxx, viryy, virzz, virxy, virxz, viryz, energy.
 

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