Documentation for module input_cp2k_binary_restarts

Routines to read the binary restart file of CP2K

source: input_cp2k_binary_restarts.F
Loading...

public Subroutines/Functions:

Read the input section &COORD from an external file written in binary format.
Read the input section &CORE_COORD or &SHELL_COORD from an external file written in binary format.
Read the input section &THERMOSTAT for Nose thermostats from an external file written in binary format.
Read the input section &VELOCITY, &CORE_VELOCITY, or &SHELL_VELOCITY from an external file written in binary format.

SUBROUTINEread_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.

Arguments:
:: topology ...
POINTER
:: root_section ...
POINTER
:: para_env ...
POINTER
:: subsys_section ...
LOGICAL,
INTENT(out)
:: binary_file_read ...

SUBROUTINEread_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.

Arguments:
CHARACTER(*),
INTENT(in)
:: prefix ...
POINTER
:: particle_set(:) ...
POINTER
:: root_section ...
POINTER
:: subsys_section ...
LOGICAL,
INTENT(out)
:: binary_file_read ...

SUBROUTINEread_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.

Arguments:
CHARACTER(*),
INTENT(in)
:: prefix ...
POINTER
:: nhc ...
CHARACTER(*),
INTENT(in)
:: binary_restart_file_name ...
LOGICAL,
INTENT(out)
:: restart ...
POINTER
:: para_env ...

SUBROUTINEread_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.

Arguments:
CHARACTER(*),
INTENT(in)
:: prefix ...
POINTER
:: particle_set(:) ...
POINTER
:: root_section ...
POINTER
:: para_env ...
POINTER
:: subsys_section ...
LOGICAL,
INTENT(out)
:: binary_file_read ...