#include "Spirit/Parameters_MMF.h"
void Parameters_MMF_Set_Output_Tag(State *state, const char * tag, int idx_image=-1, int idx_chain=-1)
Set the tag placed in front of output file names.
If the tag is "", it will be the date-time of the creation of the state.
void Parameters_MMF_Set_Output_Folder(State *state, const char * folder, int idx_image=-1, int idx_chain=-1)
Set the folder, where output files are placed.
void Parameters_MMF_Set_Output_General(State *state, bool any, bool initial, bool final, int idx_image=-1, int idx_chain=-1)
Set whether to write any output files at all.
void Parameters_MMF_Set_Output_Energy(State *state, bool step, bool archive, bool spin_resolved, bool divide_by_nos, bool add_readability_lines, int idx_image=-1, int idx_chain=-1)
Set whether to write energy output files.
step
: whether to write a new file after each set of iterationsarchive
: whether to append to an archive file after each set of iterationsspin_resolved
: whether to write a file containing the energy of each spindivide_by_nos
: whether to divide energies by the number of spinsadd_readability_lines
: whether to separate columns by lines
void Parameters_MMF_Set_Output_Configuration(State *state, bool step, bool archive, int filetype, int idx_image=-1, int idx_chain=-1)
Set whether to write spin configuration output files.
step
: whether to write a new file after each set of iterationsarchive
: whether to append to an archive file after each set of iterationsfiletype
: the format in which the data is written
void Parameters_MMF_Set_N_Iterations(State *state, int n_iterations, int n_iterations_log, int idx_image=-1, int idx_chain=-1)
Set the number of iterations and how often to log and write output.
n_iterations
: the maximum number of iterationsn_iterations_log
: the number of iterations after which status is logged and output written
void Parameters_MMF_Set_N_Modes(State *state, int n_modes, int idx_image=-1, int idx_chain=-1)
Set the number of modes to be calculated at each iteration.
void Parameters_MMF_Set_N_Mode_Follow(State *state, int n_mode_follow, int idx_image=-1, int idx_chain=-1)
Set the index of the mode to follow.
const char * Parameters_MMF_Get_Output_Tag(State *state, int idx_image=-1, int idx_chain=-1)
Returns the output file tag.
const char * Parameters_MMF_Get_Output_Folder(State *state, int idx_image=-1, int idx_chain=-1)
Returns the output folder.
void Parameters_MMF_Get_Output_General(State *state, bool * any, bool * initial, bool * final, int idx_image=-1, int idx_chain=-1)
Retrieves whether to write any output at all.
void Parameters_MMF_Get_Output_Energy(State *state, bool * step, bool * archive, bool * spin_resolved, bool * divide_by_nos, bool * add_readability_lines, int idx_image=-1, int idx_chain=-1)
Retrieves the energy output settings.
void Parameters_MMF_Get_Output_Configuration(State *state, bool * step, bool * archive, int * filetype, int idx_image=-1, int idx_chain=-1)
Retrieves the spin configuration output settings.
void Parameters_MMF_Get_N_Iterations(State *state, int * iterations, int * iterations_log, int idx_image=-1, int idx_chain=-1)
Returns the maximum number of iterations and the step size.
int Parameters_MMF_Get_N_Modes(State *state, int idx_image=-1, int idx_chain=-1)
Returns the number of modes calculated at each iteration.
int Parameters_MMF_Get_N_Mode_Follow(State *state, int idx_image=-1, int idx_chain=-1)
Returns the index of the mode which to follow.