cp2k_runs Module Reference

Functions/Subroutines
subroutine, public	write_xml_file ()
	...
subroutine, public	run_input (input_declaration, input_file_path, output_file_path, initial_variables, mpi_comm)
	runs the given input

Function/Subroutine Documentation

write_xml_file()

subroutine, public cp2k_runs::write_xml_file

...

Definition at line 853 of file cp2k_runs.F.

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run_input()

subroutine, public cp2k_runs::run_input	(	type(section_type), pointer	input_declaration,
		character(len=*), intent(in)	input_file_path,
		character(len=*), intent(in)	output_file_path,
		character(len=default_path_length), dimension(:, :), intent(in)	initial_variables,
		type(mp_comm_type), intent(in), optional	mpi_comm
	)

runs the given input

Parameters

input_declaration	...
input_file_path	the path of the input file
output_file_path	path of the output file (to which it is appended) if it is "__STD_OUT__" the default_output_unit is used
initial_variables	key-value list of initial preprocessor variables
mpi_comm	the mpi communicator to be used for this environment it will not be freed

Author

fawzi

Note

moved here because of circular dependencies

Definition at line 902 of file cp2k_runs.F.

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