mdlc_correction.c File Reference

#include "utils.h"
#include "global.h"
#include "grid.h"
#include "domain_decomposition.h"
#include "particle_data.h"
#include "communication.h"
#include "p3m-dipolar.h"
#include "cells.h"
#include "mdlc_correction.h"

Include dependency graph for mdlc_correction.c:

Go to the source code of this file.

Functions
void	calc_mu_max ()
MDINLINE double	g1_DLC_dip (double g, double x)
MDINLINE double	g2_DLC_dip (double g, double x)
double	slab_dip_count_mu (double *mt, double *mx, double *my)
double	get_DLC_dipolar (int kcut, double *fx, double *fy, double *fz, double *tx, double *ty, double *tz)
double	get_DLC_energy_dipolar (int kcut)
void	add_mdlc_force_corrections ()
double	add_mdlc_energy_corrections ()
int	mdlc_tune (double error)
int	mdlc_sanity_checks ()
int	mdlc_set_params (double maxPWerror, double gap_size, double far_cut)
Variables
DLC_struct	dlc_params = { 1e100, 0, 0, 0, 0}
static int	n_local_particles = 0
static double	mu_max

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Function Documentation

double add_mdlc_energy_corrections

(

)

Definition at line 599 of file mdlc_correction.c.

References box_l, coulomb, DIPOLAR_MDLC_P3M, Coulomb_parameters::Dmethod, dp3m, Coulomb_parameters::Dprefactor, p3m_parameter_struct::epsilon, DLC_struct::far_cut, get_DLC_energy_dipolar(), M_PI, P3M_EPSILON_METALLIC, dp3m_data_struct::params, slab_dip_count_mu(), and this_node.

Referenced by calc_long_range_energies().

void add_mdlc_force_corrections

(

)

Definition at line 455 of file mdlc_correction.c.

References box_l, CellPList::cell, coulomb, ParticlePosition::dip, DIPOLAR_MDLC_P3M, Coulomb_parameters::Dmethod, dp3m, Coulomb_parameters::Dprefactor, p3m_parameter_struct::epsilon, ParticleForce::f, Particle::f, DLC_struct::far_cut, free, get_DLC_dipolar(), i, local_cells, M_PI, malloc, CellPList::n, ParticleList::n, n_local_particles, n_total_particles, P3M_EPSILON_METALLIC, dp3m_data_struct::params, ParticleList::part, Particle::r, slab_dip_count_mu(), and ParticleForce::torque.

Referenced by calc_long_range_forces().

void calc_mu_max

(

)

Definition at line 52 of file mdlc_correction.c.

References CellPList::cell, comm_cart, ParticleProperties::dipm, i, local_cells, MPI_Allreduce(), MPI_DOUBLE, MPI_IN_PLACE, MPI_MAX, mu_max, CellPList::n, ParticleList::n, Particle::p, part, and ParticleList::part.

Referenced by mpi_bcast_max_mu(), and mpi_bcast_max_mu_slave().

MDINLINE double g1_DLC_dip	(	double	g,
		double	x
	)

Definition at line 72 of file mdlc_correction.c.

Referenced by mdlc_tune().

MDINLINE double g2_DLC_dip	(	double	g,
		double	x
	)

Definition at line 83 of file mdlc_correction.c.

Referenced by mdlc_tune().

double get_DLC_dipolar	(	int	kcut,
		double *	fx,
		double *	fy,
		double *	fz,
		double *	tx,
		double *	ty,
		double *	tz
	)

Definition at line 143 of file mdlc_correction.c.

References box_l, CellPList::cell, comm_cart, ParticlePosition::dip, energy, free, iy, local_cells, M_PI, malloc, MPI_Allreduce(), MPI_DOUBLE, MPI_IN_PLACE, MPI_SUM, CellPList::n, ParticleList::n, n_local_particles, ParticlePosition::p, ParticleList::part, and Particle::r.

Referenced by add_mdlc_force_corrections().

double get_DLC_energy_dipolar

(

int

kcut

)

Definition at line 356 of file mdlc_correction.c.

References box_l, CellPList::cell, comm_cart, ParticlePosition::dip, energy, iy, local_cells, M_PI, MPI_DOUBLE, MPI_Reduce(), MPI_SUM, CellPList::n, ParticleList::n, n_local_particles, ParticlePosition::p, ParticleList::part, Particle::r, and this_node.

Referenced by add_mdlc_energy_corrections().

int mdlc_sanity_checks

(

)

Definition at line 720 of file mdlc_correction.c.

References ERROR_SPRINTF, PERIODIC, and runtime_error().

Referenced by check_obs_calc_initialized().

int mdlc_set_params	(	double	maxPWerror,
		double	gap_size,
		double	far_cut
	)

Definition at line 738 of file mdlc_correction.c.

References box_l, coulomb, DIPOLAR_DS, DIPOLAR_MDLC_DS, DIPOLAR_MDLC_P3M, DIPOLAR_P3M, Coulomb_parameters::Dmethod, ERROR_SPRINTF, ES_ERROR, ES_OK, DLC_struct::far_calculated, DLC_struct::far_cut, DLC_struct::gap_size, DLC_struct::h, DLC_struct::maxPWerror, MDLC_TRACE, mdlc_tune(), mpi_bcast_coulomb_params(), runtime_error(), and this_node.

Referenced by tclcommand_inter_magnetic_parse_mdlc_params().

int mdlc_tune

(

double

error

)

Definition at line 661 of file mdlc_correction.c.

References box_l, ES_ERROR, ES_OK, DLC_struct::far_cut, g1_DLC_dip(), g2_DLC_dip(), DLC_struct::h, MDLC_TRACE, mpi_bcast_max_mu(), mu_max, n_total_particles, PI, and this_node.

Referenced by mdlc_set_params().

double slab_dip_count_mu	(	double *	mt,
		double *	mx,
		double *	my
	)

Definition at line 93 of file mdlc_correction.c.

References CellPList::cell, comm_cart, ParticlePosition::dip, i, local_cells, MPI_Allreduce(), MPI_DOUBLE, MPI_SUM, CellPList::n, ParticleList::n, part, ParticleList::part, and Particle::r.

Referenced by add_mdlc_energy_corrections(), and add_mdlc_force_corrections().

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Variable Documentation

DLC_struct dlc_params = { 1e100, 0, 0, 0, 0}

Definition at line 47 of file mdlc_correction.c.

Referenced by mpi_bcast_coulomb_params_slave(), and tclprint_to_result_MDLC().

double mu_max [static]

Definition at line 50 of file mdlc_correction.c.

Referenced by calc_mu_max(), and mdlc_tune().

int n_local_particles = 0 [static]

Definition at line 49 of file mdlc_correction.c.

Referenced by add_mdlc_force_corrections(), get_DLC_dipolar(), and get_DLC_energy_dipolar().