22 #ifndef FCS_DIRECT_P_INCLUDED 23 #define FCS_DIRECT_P_INCLUDED 26 #include "fcs_definitions.h" FCSResult fcs_direct_set_cutoff(FCS handle, fcs_float cutoff)
function to set the optional cutoff parameter
struct fcs_direct_parameters_t * fcs_direct_parameters
FCSResult fcs_direct_get_periodic_images(FCS handle, fcs_int *periodic_images)
function to set the number of image systems used in each (periodic) dimension
FCSResult fcs_direct_setup(FCS handle, fcs_float cutoff)
combined setter for all direct solver parameters
FCSResult fcs_direct_set_in_particles(FCS handle, fcs_int nin_particles, fcs_float *in_positions, fcs_float *in_charges)
function to set additional input particles (ie, particles for which no results are computed) ...
FCSResult fcs_direct_get_cutoff(FCS handle, fcs_float *cutoff)
function to get the optional cutoff parameter
FCSResult fcs_direct_set_cutoff_with_near(FCS handle, fcs_bool cutoff_with_near)
function to set whether the near-field solver module should be used for computations with cutoff rang...
FCSResult fcs_direct_get_metallic_boundary_conditions(FCS handle, fcs_bool *metallic_boundary_conditions)
function to get whether the direct solver should use metallic boundary conditions for periodic system...
public interface definitions for the FCSResult-object that is used for handling the return state of t...
struct FCSResult_t * FCSResult
FCSResult-object that is used for handling the return state of the ScaFaCoS library functions...
FCSResult fcs_direct_get_cutoff_with_near(FCS handle, fcs_bool *cutoff_with_near)
function to get whether the near-field solver module should be used for computations with cutoff rang...
FCSResult fcs_direct_set_periodic_images(FCS handle, fcs_int *periodic_images)
function to set the number of image systems used in each (periodic) dimension
public interface definitions for the main solver-independent functionality of the ScaFaCoS library ...
void fcs_direct_setup_f(void *handle, fcs_float cutoff, fcs_int *return_value)
combined setter for all direct solver parameters (FORTRAN WRAPPER)
FCSResult fcs_direct_set_metallic_boundary_conditions(FCS handle, fcs_bool metallic_boundary_conditions)
function to set whether the direct solver should use metallic boundary conditions for periodic system...
struct _FCS_t * FCS
FCS-object representing an FCS solver.