Set of routines to dump the restart file of CP2K. More...

Functions/Subroutines
subroutine, public	write_restart (md_env, force_env, root_section, coords, vels, pint_env, helium_env)
	checks if a restart needs to be written and does so, updating all necessary fields in the input file. This is a relatively simple wrapper routine. More...

Detailed Description

Set of routines to dump the restart file of CP2K.

Function/Subroutine Documentation

subroutine, public input_cp2k_restarts::write_restart	(	type(md_environment_type), optional, pointer	md_env,
		type(force_env_type), optional, pointer	force_env,
		type(section_vals_type), pointer	root_section,
		type(neb_var_type), optional, pointer	coords,
		type(neb_var_type), optional, pointer	vels,
		type(pint_env_type), intent(in), optional	pint_env,
		type(helium_solvent_p_type), dimension(:), optional, pointer	helium_env
	)

checks if a restart needs to be written and does so, updating all necessary fields in the input file. This is a relatively simple wrapper routine.

Parameters

Definition at line 110 of file input_cp2k_restarts.F.

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