Parameters_MMF

#include "Spirit/Parameters_MMF.h"

Set Output

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 “<time>”, 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 iterations

• archive: whether to append to an archive file after each set of iterations

• spin_resolved: whether to write a file containing the energy of each spin

• divide_by_nos: whether to divide energies by the number of spins

• add_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 iterations

• archive: whether to append to an archive file after each set of iterations

• filetype: the format in which the data is written

Set Parameters

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 iterations

• n_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.

Get Output

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.

Get Parameters

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.