pair_potential_types::allegro_pot_type Type Reference

Data Fields
character(len=default_path_length)	allegro_file_name = 'NULL'
character(len=default_path_length)	unit_cell = 'NULL'
character(len=default_path_length)	nequip_version = 'NULL'
character(len=default_path_length)	unit_coords = 'NULL'
character(len=default_path_length)	unit_forces = 'NULL'
character(len=default_path_length)	unit_energy = 'NULL'
real(kind=dp)	rcutsq = 0.0_dp
real(kind=dp)	unit_coords_val = 1.0_dp
real(kind=dp)	unit_forces_val = 1.0_dp
real(kind=dp)	unit_cell_val = 1.0_dp
real(kind=dp)	unit_energy_val = 1.0_dp
logical	do_allegro_sp = .FALSE.

Detailed Description

Definition at line 203 of file pair_potential_types.F.

Field Documentation

allegro_file_name

character(len=default_path_length) pair_potential_types::allegro_pot_type::allegro_file_name = 'NULL'

Definition at line 204 of file pair_potential_types.F.

unit_cell

character(len=default_path_length) pair_potential_types::allegro_pot_type::unit_cell = 'NULL'

Definition at line 204 of file pair_potential_types.F.

nequip_version

character(len=default_path_length) pair_potential_types::allegro_pot_type::nequip_version = 'NULL'

Definition at line 204 of file pair_potential_types.F.

unit_coords

character(len=default_path_length) pair_potential_types::allegro_pot_type::unit_coords = 'NULL'

Definition at line 204 of file pair_potential_types.F.

unit_forces

character(len=default_path_length) pair_potential_types::allegro_pot_type::unit_forces = 'NULL'

Definition at line 204 of file pair_potential_types.F.

unit_energy

character(len=default_path_length) pair_potential_types::allegro_pot_type::unit_energy = 'NULL'

Definition at line 204 of file pair_potential_types.F.

rcutsq

real(kind=dp) pair_potential_types::allegro_pot_type::rcutsq = 0.0_dp

Definition at line 207 of file pair_potential_types.F.

unit_coords_val

real(kind=dp) pair_potential_types::allegro_pot_type::unit_coords_val = 1.0_dp

Definition at line 207 of file pair_potential_types.F.

unit_forces_val

real(kind=dp) pair_potential_types::allegro_pot_type::unit_forces_val = 1.0_dp

Definition at line 207 of file pair_potential_types.F.

unit_cell_val

real(kind=dp) pair_potential_types::allegro_pot_type::unit_cell_val = 1.0_dp

Definition at line 207 of file pair_potential_types.F.

unit_energy_val

real(kind=dp) pair_potential_types::allegro_pot_type::unit_energy_val = 1.0_dp

Definition at line 207 of file pair_potential_types.F.

do_allegro_sp

logical pair_potential_types::allegro_pot_type::do_allegro_sp = .FALSE.

Definition at line 210 of file pair_potential_types.F.

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The documentation for this type was generated from the following file:

• pair_potential_types.F