reftraj_types::reftraj_msd_type Type Reference

Data Fields
logical	disp_atom = .FALSE.
logical	msd_kind = .FALSE.
logical	msd_molecule = .FALSE.
logical	msd_region = .FALSE.
integer	num_disp_atom = 0
integer	ref0_unit = 0
integer, dimension(:), pointer	disp_atom_index => NULL()
real(kind=dp)	disp_atom_tol = 0.0_dp
real(kind=dp), dimension(3)	drcom = 0.0_dp
real(kind=dp), dimension(3)	ref0_com = 0.0_dp
real(kind=dp)	total_mass = 0.0_dp
real(kind=dp), dimension(:, :), pointer	disp_atom_dr => NULL()
real(kind=dp), dimension(:, :), pointer	ref0_pos => NULL()
real(kind=dp), dimension(:, :), pointer	ref0_com_molecule => NULL()
real(kind=dp), dimension(:, :), pointer	val_msd_kind => NULL()
real(kind=dp), dimension(:, :), pointer	val_msd_molecule => NULL()
real(kind=dp), dimension(:, :), pointer	val_msd_region => NULL()

Detailed Description

Definition at line 53 of file reftraj_types.F.

Field Documentation

disp_atom

logical reftraj_types::reftraj_msd_type::disp_atom = .FALSE.

Definition at line 54 of file reftraj_types.F.

msd_kind

logical reftraj_types::reftraj_msd_type::msd_kind = .FALSE.

Definition at line 54 of file reftraj_types.F.

msd_molecule

logical reftraj_types::reftraj_msd_type::msd_molecule = .FALSE.

Definition at line 54 of file reftraj_types.F.

msd_region

logical reftraj_types::reftraj_msd_type::msd_region = .FALSE.

Definition at line 54 of file reftraj_types.F.

num_disp_atom

integer reftraj_types::reftraj_msd_type::num_disp_atom = 0

Definition at line 55 of file reftraj_types.F.

ref0_unit

integer reftraj_types::reftraj_msd_type::ref0_unit = 0

Definition at line 55 of file reftraj_types.F.

disp_atom_index

integer, dimension(:), pointer reftraj_types::reftraj_msd_type::disp_atom_index => NULL()

Definition at line 56 of file reftraj_types.F.

disp_atom_tol

real(kind=dp) reftraj_types::reftraj_msd_type::disp_atom_tol = 0.0_dp

Definition at line 57 of file reftraj_types.F.

drcom

real(kind=dp), dimension(3) reftraj_types::reftraj_msd_type::drcom = 0.0_dp

Definition at line 57 of file reftraj_types.F.

ref0_com

real(kind=dp), dimension(3) reftraj_types::reftraj_msd_type::ref0_com = 0.0_dp

Definition at line 57 of file reftraj_types.F.

total_mass

real(kind=dp) reftraj_types::reftraj_msd_type::total_mass = 0.0_dp

Definition at line 57 of file reftraj_types.F.

disp_atom_dr

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::disp_atom_dr => NULL()

Definition at line 58 of file reftraj_types.F.

ref0_pos

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::ref0_pos => NULL()

Definition at line 59 of file reftraj_types.F.

ref0_com_molecule

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::ref0_com_molecule => NULL()

Definition at line 60 of file reftraj_types.F.

val_msd_kind

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::val_msd_kind => NULL()

Definition at line 61 of file reftraj_types.F.

val_msd_molecule

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::val_msd_molecule => NULL()

Definition at line 62 of file reftraj_types.F.

val_msd_region

real(kind=dp), dimension(:, :), pointer reftraj_types::reftraj_msd_type::val_msd_region => NULL()

Definition at line 63 of file reftraj_types.F.

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

• motion/reftraj_types.F