input_cp2k_binary_restarts Module Reference

Routines to read the binary restart file of CP2K. More...

Functions/Subroutines
subroutine, public	read_binary_coordinates (topology, root_section, para_env, subsys_section, binary_file_read)
	Read the input section &COORD from an external file written in binary format.
subroutine, public	read_binary_cs_coordinates (prefix, particle_set, root_section, subsys_section, binary_file_read)
	Read the input section &CORE_COORD or &SHELL_COORD from an external file written in binary format.
subroutine, public	read_binary_velocities (prefix, particle_set, root_section, para_env, subsys_section, binary_file_read)
	Read the input section &VELOCITY, &CORE_VELOCITY, or &SHELL_VELOCITY from an external file written in binary format.
subroutine, public	read_binary_thermostats_nose (prefix, nhc, binary_restart_file_name, restart, para_env)
	Read the input section &THERMOSTAT for Nose thermostats from an external file written in binary format.

Detailed Description

Routines to read the binary restart file of CP2K.

Author

Matthias Krack (MK)

History

• Creation (17.02.2011,MK)

Version

1.0

Function/Subroutine Documentation

read_binary_coordinates()

subroutine, public input_cp2k_binary_restarts::read_binary_coordinates	(	type(topology_parameters_type)	topology,
		type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(out)	binary_file_read
	)

Read the input section &COORD from an external file written in binary format.

Parameters

topology	...
root_section	...
para_env	...
subsys_section	...
binary_file_read	...

History

• Creation (10.02.2011,MK)

Author

Matthias Krack (MK)

Version

1.0

Definition at line 68 of file input_cp2k_binary_restarts.F.

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read_binary_cs_coordinates()

subroutine, public input_cp2k_binary_restarts::read_binary_cs_coordinates	(	character(len=*), intent(in)	prefix,
		type(particle_type), dimension(:), pointer	particle_set,
		type(section_vals_type), pointer	root_section,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(out)	binary_file_read
	)

Read the input section &CORE_COORD or &SHELL_COORD from an external file written in binary format.

Parameters

prefix	...
particle_set	...
root_section	...
subsys_section	...
binary_file_read	...

History

• Creation (17.02.2011,MK)

Author

Matthias Krack (MK)

Version

1.0

Definition at line 295 of file input_cp2k_binary_restarts.F.

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read_binary_velocities()

subroutine, public input_cp2k_binary_restarts::read_binary_velocities	(	character(len=*), intent(in)	prefix,
		type(particle_type), dimension(:), pointer	particle_set,
		type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(section_vals_type), pointer	subsys_section,
		logical, intent(out)	binary_file_read
	)

Read the input section &VELOCITY, &CORE_VELOCITY, or &SHELL_VELOCITY from an external file written in binary format.

Parameters

prefix	...
particle_set	...
root_section	...
para_env	...
subsys_section	...
binary_file_read	...

History

• Creation (17.02.2011,MK)

Author

Matthias Krack (MK)

Version

1.0

Definition at line 491 of file input_cp2k_binary_restarts.F.

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read_binary_thermostats_nose()

subroutine, public input_cp2k_binary_restarts::read_binary_thermostats_nose	(	character(len=*), intent(in)	prefix,
		type(lnhc_parameters_type), pointer	nhc,
		character(len=*), intent(in)	binary_restart_file_name,
		logical, intent(out)	restart,
		type(mp_para_env_type), pointer	para_env
	)

Read the input section &THERMOSTAT for Nose thermostats from an external file written in binary format.

Parameters

prefix	...
nhc	...
binary_restart_file_name	...
restart	...
para_env	...

History

• Creation (28.02.2011,MK)

Author

Matthias Krack (MK)

Version

1.0

Definition at line 675 of file input_cp2k_binary_restarts.F.

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