ScaFaCoS  1.0.1
Scalable Fast Coulomb Solvers
Public Member Functions
fcs_compute_dipole_correction Interface Reference

Public Member Functions

type(c_ptr) function fcs_compute_dipole_correction (handle, local_particles, positions, charges, epsilon, field_correction, energy_correction)
 

Detailed Description

Definition at line 401 of file fcs4fortran.f90.

Constructor & Destructor Documentation

◆ fcs_compute_dipole_correction()

type(c_ptr) function fcs_compute_dipole_correction ( type(c_ptr), value  handle,
integer(kind = fcs_integer_kind_isoc), value  local_particles,
real(kind = fcs_real_kind_isoc), dimension(3*local_particles)  positions,
real(kind = fcs_real_kind_isoc), dimension(local_particles)  charges,
real(kind = fcs_real_kind_isoc), value  epsilon,
real(kind = fcs_real_kind_isoc), dimension(3)  field_correction,
real(kind = fcs_real_kind_isoc)  energy_correction 
)

Definition at line 405 of file fcs4fortran.f90.

405  use iso_c_binding
406  implicit none
407  type(c_ptr), value :: handle
408  integer(kind = fcs_integer_kind_isoc), value :: local_particles
409  real(kind = fcs_real_kind_isoc), dimension(3*local_particles) :: positions
410  real(kind = fcs_real_kind_isoc), dimension(local_particles) :: charges
411  real(kind = fcs_real_kind_isoc), value :: epsilon
412  real(kind = fcs_real_kind_isoc), dimension(3) :: field_correction
413  real(kind = fcs_real_kind_isoc) :: energy_correction
414  type(c_ptr) :: fcs_compute_dipole_correction
fcs_compute_dipole_correction
FCSResult fcs_compute_dipole_correction(FCS handle, fcs_int local_particles, fcs_float *positions, fcs_float *charges, fcs_float epsilon, fcs_float *field_correction, fcs_float *energy_correction)
function to compute the correction to the field and total energy when periodic boundary conditions wi...
The documentation for this interface was generated from the following file: