|
Gromacs
2026.0-dev-20251106-2ba968f
|
#include <gromacs/ewald/pme_gpu_types.h>
A GPU data structure for storing the constant PME data. This only has to be initialized once.
Public Attributes | |
| float | elFactor |
| Electrostatics coefficient = c_one4PiEps0 / pme->epsilon_r. | |
| DeviceBuffer< float > | d_virialAndEnergy [2] |
| Virial and energy GPU array. Size is c_virialAndEnergyCount (7) floats. The element order is virxx, viryy, virzz, virxy, virxz, viryz, energy. | |
1.8.5