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libAtoms
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Subroutine write_xsc_file
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Index
Module
atoms_module
in file Atoms.f95
Subsections
Purpose
Usage
Uses
Module variables
Type
Table_pointer
Elements
Type
Connection
Elements
Type
Atoms
Elements
Interface
initialise
Interface
finalise
Interface
wipe
Interface
zero
Interface
assignment(=)
Interface
set_atoms
Interface
set_cutoff_minimum
Interface
set_cutoff
Interface
set_cutoff_factor
Interface
add_atoms
Interface
remove_atoms
Interface
add_property
Interface
has_property
Interface
remove_property
Interface
assign_pointer
Interface
distance_min_image
Interface
diff_min_image
Interface
write_binary
Interface
read_binary
Interface
print
Interface
print_xyz
Interface
print_cfg
Interface
read_xyz
Interface
set_lattice
Interface
select
Interface
cell_volume
Interface
map_into_cell
Subroutine
atoms_copy_without_connect
Subroutine
calc_dists
Subroutine
connection_fill
Subroutine
test_form_bond
Subroutine
set_bonds
Subroutine
add_bond
Subroutine
remove_bond
Subroutine
calc_connect_hysteretic
Subroutine
connection_remove_atom
Subroutine
calc_connect
Subroutine
partition_atoms
Subroutine
divide_cell
Subroutine
fit_box_in_cell
Subroutine
get_lattice_params
Subroutine
directionality
Subroutine
parse_line_io_es
Subroutine
atoms_read_xyz
Subroutine
parse_atom_mask
Subroutine
property_to_list
Subroutine
list_to_property
Subroutine
complement
Subroutine
difference
Subroutine
coalesce_in_one_periodic_image
Function
atoms_cutoff
Function
atoms_cutoff_break
Function
atoms_n_neighbours
Function
atoms_neighbour
Function
diff
Function
realpos
Function
distance
Function
cosine
Function
cosine_neighbour
Function
direction_cosines
Function
direction_cosines_min_image
Function
is_in_subregion
Function
is_nearest_neighbour
Function
test_break_bond
Function
max_cutoff
Function
make_lattice
Function
centre_of_mass
Function
cosangle_to_line
Function
prop_names_string
Function
dict_prop_names_string
Function
read_line_io_es
Function
bond_length
Function
termination_bond_rescale
gabor 2009-06-30
