cell_opt_types::cell_opt_env_type Type Reference

Type containing all informations abour the simulation cell optimization. More...

Data Fields
integer	constraint_id = fix_none
logical	keep_angles = .FALSE.
logical	keep_symmetry = .FALSE.
real(kind=dp)	pres_ext = 0.0_dp
real(kind=dp)	pres_int = 0.0_dp
real(kind=dp)	pres_tol = 0.0_dp
real(kind=dp)	pres_constr = 0.0_dp
real(kind=dp), dimension(3, 3)	mtrx = 0.0_dp
real(kind=dp), dimension(3, 3)	rot_matrix = 0.0_dp
type(cell_type), pointer	ref_cell => NULL()

Detailed Description

Type containing all informations abour the simulation cell optimization.

History

none

Author

Teodoro Laino - created [tlaino] - 03.2008 - Zurich University

Definition at line 59 of file cell_opt_types.F.

Field Documentation

constraint_id

integer cell_opt_types::cell_opt_env_type::constraint_id = fix_none

Definition at line 61 of file cell_opt_types.F.

keep_angles

logical cell_opt_types::cell_opt_env_type::keep_angles = .FALSE.

Definition at line 62 of file cell_opt_types.F.

keep_symmetry

logical cell_opt_types::cell_opt_env_type::keep_symmetry = .FALSE.

Definition at line 62 of file cell_opt_types.F.

pres_ext

real(kind=dp) cell_opt_types::cell_opt_env_type::pres_ext = 0.0_dp

Definition at line 64 of file cell_opt_types.F.

pres_int

real(kind=dp) cell_opt_types::cell_opt_env_type::pres_int = 0.0_dp

Definition at line 64 of file cell_opt_types.F.

pres_tol

real(kind=dp) cell_opt_types::cell_opt_env_type::pres_tol = 0.0_dp

Definition at line 64 of file cell_opt_types.F.

pres_constr

real(kind=dp) cell_opt_types::cell_opt_env_type::pres_constr = 0.0_dp

Definition at line 64 of file cell_opt_types.F.

mtrx

real(kind=dp), dimension(3, 3) cell_opt_types::cell_opt_env_type::mtrx = 0.0_dp

Definition at line 65 of file cell_opt_types.F.

rot_matrix

real(kind=dp), dimension(3, 3) cell_opt_types::cell_opt_env_type::rot_matrix = 0.0_dp

Definition at line 66 of file cell_opt_types.F.

ref_cell

type(cell_type), pointer cell_opt_types::cell_opt_env_type::ref_cell => NULL()

Definition at line 67 of file cell_opt_types.F.

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

• motion/cell_opt_types.F