cp_iter_types.F File Reference

#include "../base/base_uses.f90"

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Data Types
type	cp_iter_types::cp_iteration_info_type
	contains the information about the current state of the program to be able to decide if output is necessary More...

Modules
module	cp_iter_types
	Collection of routines to handle the iteration info.

Functions/Subroutines
pure subroutine, public	cp_iter_types::cp_iteration_info_create (iteration_info, project_name)
	creates an output info object
subroutine, public	cp_iter_types::cp_iteration_info_retain (iteration_info)
	retains the iteration_info (see doc/ReferenceCounting.html)
subroutine, public	cp_iter_types::cp_iteration_info_release (iteration_info)
	releases the iteration_info (see doc/ReferenceCounting.html)
subroutine, public	cp_iter_types::cp_iteration_info_copy_iter (iteration_info_in, iteration_info_out)
	Copies iterations info of an iteration info into another iteration info.

Variables
character(len=default_path_length), dimension(18), parameter, public	cp_iter_types::each_possible_labels = (/ "__ROOT__ ", "JUST_ENERGY ", "POWELL_OPT ", "QS_SCF ", "XAS_SCF ", "MD ", "PINT ", "METADYNAMICS ", "GEO_OPT ", "ROT_OPT ", "CELL_OPT ", "BAND ", "EP_LIN_SOLVER ", "SPLINE_FIND_COEFFS", "REPLICA_EVAL ", "BSSE ", "SHELL_OPT ", "TDDFT_SCF "/)
character(len=default_path_length), dimension(18), parameter, public	cp_iter_types::each_desc_labels = (/ "Iteration level for __ROOT__ (fictitious iteration level) ", "Iteration level for an ENERGY/ENERGY_FORCE calculation. ", "Iteration level for POWELL based optimization steps. ", "Iteration level for the SCF steps. ", "Iteration level for the X-Ray Absorption Spectroscopy (XAS) SCF steps. ", "Iteration level for the MD steps. ", "Iteration level for the Path integral md steps. ", "Iteration level for the METADYNAMICS steps (number of hills added). ", "Iteration level for the Geometry optimization steps. ", "Iteration level for the Rotational optimization steps in the Dimer calculation.", "Iteration level for the Cell optimization steps. ", "Iteration level for the BAND calculation steps ", "Iteration level for the Energy Perturbation (EP) linear solver ", "Iteration level for the solution of the coefficients of the splines ", "Iteration level for the evaluation of the Replica Environment ", "Iteration level for the Basis Set Superposition Error (BSSE) calculation ", "Iteration level for the Shell-Core distances optimization steps ", "Iteration level for the Time-Dependent Density Functional Theory SCF steps. "/)