tmc_analysis_types::tmc_analysis_env Type Reference

Data Fields
integer	io_unit = -1
character(len=default_string_length), dimension(:), pointer	dirs => NULL()
character(len=default_path_length)	out_file_prefix = ""
integer	conf_offset = 0
type(cell_type), pointer	cell => NULL()
type(tmc_atom_type), dimension(:), pointer	atoms => NULL()
integer	dim_per_elem = 3
integer	nr_dim = -1
real(kind=dp)	temperature = 0.0_dp
type(tree_type), pointer	last_elem => NULL()
integer	from_elem = -1
integer	to_elem = -1
integer	id_traj = -1
integer	id_cell = -1
integer	id_frc = -1
integer	id_dip = -1
integer	id_ener = -1
integer	lc_traj = 0
integer	lc_cell = 0
integer	lc_frc = 0
integer	lc_dip = 0
integer	lc_ener = 0
character(len=default_path_length)	costum_pos_file_name = ""
character(len=default_path_length)	costum_dip_file_name = ""
character(len=default_path_length)	costum_cell_file_name = ""
logical	restart = .TRUE.
logical	restarted = .FALSE.
logical	print_test_output = .FALSE.
type(density_3d_type), pointer	density_3d => NULL()
type(pair_correl_type), pointer	pair_correl => NULL()
type(dipole_moment_type), pointer	dip_mom => NULL()
type(dipole_analysis_type), pointer	dip_ana => NULL()
type(displacement_type), pointer	displace => NULL()

Detailed Description

Definition at line 52 of file tmc_analysis_types.F.

Field Documentation

io_unit

integer tmc_analysis_types::tmc_analysis_env::io_unit = -1

Definition at line 53 of file tmc_analysis_types.F.

dirs

character(len=default_string_length), dimension(:), pointer tmc_analysis_types::tmc_analysis_env::dirs => NULL()

Definition at line 54 of file tmc_analysis_types.F.

out_file_prefix

character(len=default_path_length) tmc_analysis_types::tmc_analysis_env::out_file_prefix = ""

Definition at line 56 of file tmc_analysis_types.F.

conf_offset

integer tmc_analysis_types::tmc_analysis_env::conf_offset = 0

Definition at line 57 of file tmc_analysis_types.F.

cell

type(cell_type), pointer tmc_analysis_types::tmc_analysis_env::cell => NULL()

Definition at line 58 of file tmc_analysis_types.F.

atoms

type(tmc_atom_type), dimension(:), pointer tmc_analysis_types::tmc_analysis_env::atoms => NULL()

Definition at line 59 of file tmc_analysis_types.F.

dim_per_elem

integer tmc_analysis_types::tmc_analysis_env::dim_per_elem = 3

Definition at line 60 of file tmc_analysis_types.F.

nr_dim

integer tmc_analysis_types::tmc_analysis_env::nr_dim = -1

Definition at line 61 of file tmc_analysis_types.F.

temperature

real(kind=dp) tmc_analysis_types::tmc_analysis_env::temperature = 0.0_dp

Definition at line 62 of file tmc_analysis_types.F.

last_elem

type(tree_type), pointer tmc_analysis_types::tmc_analysis_env::last_elem => NULL()

Definition at line 63 of file tmc_analysis_types.F.

from_elem

integer tmc_analysis_types::tmc_analysis_env::from_elem = -1

Definition at line 64 of file tmc_analysis_types.F.

to_elem

integer tmc_analysis_types::tmc_analysis_env::to_elem = -1

Definition at line 64 of file tmc_analysis_types.F.

id_traj

integer tmc_analysis_types::tmc_analysis_env::id_traj = -1

Definition at line 65 of file tmc_analysis_types.F.

id_cell

integer tmc_analysis_types::tmc_analysis_env::id_cell = -1

Definition at line 65 of file tmc_analysis_types.F.

id_frc

integer tmc_analysis_types::tmc_analysis_env::id_frc = -1

Definition at line 65 of file tmc_analysis_types.F.

id_dip

integer tmc_analysis_types::tmc_analysis_env::id_dip = -1

Definition at line 65 of file tmc_analysis_types.F.

id_ener

integer tmc_analysis_types::tmc_analysis_env::id_ener = -1

Definition at line 65 of file tmc_analysis_types.F.

lc_traj

integer tmc_analysis_types::tmc_analysis_env::lc_traj = 0

Definition at line 66 of file tmc_analysis_types.F.

lc_cell

integer tmc_analysis_types::tmc_analysis_env::lc_cell = 0

Definition at line 66 of file tmc_analysis_types.F.

lc_frc

integer tmc_analysis_types::tmc_analysis_env::lc_frc = 0

Definition at line 66 of file tmc_analysis_types.F.

lc_dip

integer tmc_analysis_types::tmc_analysis_env::lc_dip = 0

Definition at line 66 of file tmc_analysis_types.F.

lc_ener

integer tmc_analysis_types::tmc_analysis_env::lc_ener = 0

Definition at line 66 of file tmc_analysis_types.F.

costum_pos_file_name

character(len=default_path_length) tmc_analysis_types::tmc_analysis_env::costum_pos_file_name = ""

Definition at line 67 of file tmc_analysis_types.F.

costum_dip_file_name

character(len=default_path_length) tmc_analysis_types::tmc_analysis_env::costum_dip_file_name = ""

Definition at line 68 of file tmc_analysis_types.F.

costum_cell_file_name

character(len=default_path_length) tmc_analysis_types::tmc_analysis_env::costum_cell_file_name = ""

Definition at line 69 of file tmc_analysis_types.F.

restart

logical tmc_analysis_types::tmc_analysis_env::restart = .TRUE.

Definition at line 70 of file tmc_analysis_types.F.

restarted

logical tmc_analysis_types::tmc_analysis_env::restarted = .FALSE.

Definition at line 70 of file tmc_analysis_types.F.

print_test_output

logical tmc_analysis_types::tmc_analysis_env::print_test_output = .FALSE.

Definition at line 71 of file tmc_analysis_types.F.

density_3d

type(density_3d_type), pointer tmc_analysis_types::tmc_analysis_env::density_3d => NULL()

Definition at line 73 of file tmc_analysis_types.F.

pair_correl

type(pair_correl_type), pointer tmc_analysis_types::tmc_analysis_env::pair_correl => NULL()

Definition at line 74 of file tmc_analysis_types.F.

dip_mom

type(dipole_moment_type), pointer tmc_analysis_types::tmc_analysis_env::dip_mom => NULL()

Definition at line 75 of file tmc_analysis_types.F.

dip_ana

type(dipole_analysis_type), pointer tmc_analysis_types::tmc_analysis_env::dip_ana => NULL()

Definition at line 76 of file tmc_analysis_types.F.

displace

type(displacement_type), pointer tmc_analysis_types::tmc_analysis_env::displace => NULL()

Definition at line 77 of file tmc_analysis_types.F.

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

• tmc/tmc_analysis_types.F