Octopus
read_coords_oct_m Module Reference

Data Types

type  read_coords_atom
 
type  read_coords_info
 

Functions/Subroutines

subroutine, public read_coords_init (gf)
 
subroutine, public read_coords_end (gf)
 
subroutine, public read_coords_read (what, gf, space, namespace)
 
subroutine read_coords_read_pdb (what, iunit, gf)
 

Variables

integer, parameter, public read_coords_err = 0
 for read_coords_info::file_type More...
 
integer, parameter, public read_coords_pdb = 1
 
integer, parameter, public read_coords_xyz = 2
 
integer, parameter, public read_coords_inp = 3
 
integer, parameter, public read_coords_reduced = 4
 
integer, parameter, public read_coords_xsf = 5
 
integer, parameter, public xyz_flags_residue = 1
 for read_coords_info::flags More...
 
integer, parameter, public xyz_flags_charge = 2
 
integer, parameter, public xyz_flags_move = 4
 

Function/Subroutine Documentation

◆ read_coords_init()

subroutine, public read_coords_oct_m::read_coords_init ( type(read_coords_info), intent(out)  gf)

Definition at line 175 of file read_coords.F90.

◆ read_coords_end()

subroutine, public read_coords_oct_m::read_coords_end ( type(read_coords_info), intent(inout)  gf)

Definition at line 189 of file read_coords.F90.

◆ read_coords_read()

subroutine, public read_coords_oct_m::read_coords_read ( character(len=*), intent(in)  what,
type(read_coords_info), intent(inout)  gf,
class(space_t), intent(in)  space,
type(namespace_t), intent(in)  namespace 
)

Definition at line 208 of file read_coords.F90.

◆ read_coords_read_pdb()

subroutine read_coords_oct_m::read_coords_read_pdb ( character(len=*), intent(in)  what,
integer, intent(in)  iunit,
type(read_coords_info), intent(inout)  gf 
)
private

Definition at line 596 of file read_coords.F90.

Variable Documentation

◆ read_coords_err

integer, parameter, public read_coords_oct_m::read_coords_err = 0

for read_coords_info::file_type

Definition at line 138 of file read_coords.F90.

◆ read_coords_pdb

integer, parameter, public read_coords_oct_m::read_coords_pdb = 1

Definition at line 138 of file read_coords.F90.

◆ read_coords_xyz

integer, parameter, public read_coords_oct_m::read_coords_xyz = 2

Definition at line 138 of file read_coords.F90.

◆ read_coords_inp

integer, parameter, public read_coords_oct_m::read_coords_inp = 3

Definition at line 138 of file read_coords.F90.

◆ read_coords_reduced

integer, parameter, public read_coords_oct_m::read_coords_reduced = 4

Definition at line 138 of file read_coords.F90.

◆ read_coords_xsf

integer, parameter, public read_coords_oct_m::read_coords_xsf = 5

Definition at line 138 of file read_coords.F90.

◆ xyz_flags_residue

integer, parameter, public read_coords_oct_m::xyz_flags_residue = 1

for read_coords_info::flags

Definition at line 147 of file read_coords.F90.

◆ xyz_flags_charge

integer, parameter, public read_coords_oct_m::xyz_flags_charge = 2

Definition at line 147 of file read_coords.F90.

◆ xyz_flags_move

integer, parameter, public read_coords_oct_m::xyz_flags_move = 4

Definition at line 147 of file read_coords.F90.