Index

A

add_atom() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_residue) (fortran subroutine in module chfl_topology) add_bond() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology), [1] add_residue() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology) add_velocities() (fortran subroutine in module chfl_frame) angle() (fortran function in module chfl_frame)

angles() (fortran function in module chfl_cell) (fortran subroutine in module chfl_topology) angles_count() (fortran function in module chfl_topology) atom() (fortran function in module chfl_frame) (fortran function in module chfl_topology) atomic_number() (fortran function in module chfl_atom) atoms() (fortran subroutine in module chfl_residue) atoms_count() (fortran function in module chfl_frame) (fortran function in module chfl_residue) (fortran function in module chfl_topology)

B

bond_order() (fortran function in module chfl_topology) bond_orders() (fortran subroutine in module chfl_topology)

bonds() (fortran subroutine in module chfl_topology) bonds_count() (fortran function in module chfl_topology) bool() (fortran function in module chfl_property)

C

cell() (fortran function in module chfl_frame) charge() (fortran function in module chfl_atom) chfl_add_configuration() (fortran subroutine) chfl_atom (fortran type) CHFL_BOND_AMIDE (fortran variable) CHFL_BOND_AROMATIC (fortran variable) CHFL_BOND_DOUBLE (fortran variable) chfl_bond_order (fortran variable) CHFL_BOND_QINTUPLET (fortran variable) CHFL_BOND_QUADRUPLE (fortran variable) CHFL_BOND_SINGLE (fortran variable) CHFL_BOND_TRIPLE (fortran variable) CHFL_BOND_UNKNOWN (fortran variable) chfl_cell (fortran type) CHFL_CELL_INFINITE (fortran variable) CHFL_CELL_ORTHORHOMBIC (fortran variable) CHFL_CELL_TRICLINIC (fortran variable) chfl_cellshape (fortran variable) chfl_clear_errors() (fortran subroutine) CHFL_CONFIGURATION_ERROR (fortran variable) CHFL_CXX_ERROR (fortran variable) CHFL_FILE_ERROR (fortran variable) CHFL_FORMAT_ERROR (fortran variable) chfl_format_metadata (fortran type) chfl_formats_list() (fortran subroutine) chfl_frame (fortran type) CHFL_GENERIC_ERROR (fortran variable) chfl_guess_format() (fortran function) chfl_last_error() (fortran function) chfl_match (fortran type)

CHFL_MEMORY_ERROR (fortran variable) CHFL_OUT_OF_BOUNDS (fortran variable) chfl_property (fortran type) CHFL_PROPERTY_BOOL (fortran variable) CHFL_PROPERTY_DOUBLE (fortran variable) CHFL_PROPERTY_ERROR (fortran variable) chfl_property_kind (fortran variable) CHFL_PROPERTY_STRING (fortran variable) CHFL_PROPERTY_VECTOR3D (fortran variable) chfl_residue (fortran type) chfl_selection (fortran type) CHFL_SELECTION_ERROR (fortran variable) chfl_set_warning_callback() (fortran subroutine) chfl_status (fortran variable) CHFL_STRING_LENGTH (fortran variable) CHFL_SUCCESS (fortran variable) chfl_topology (fortran type) chfl_trajectory (fortran type) chfl_version() (fortran function) chfl_warning_callback() (fortran subroutine) clear_bonds() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology) close() (fortran subroutine in module chfl_trajectory) contains() (fortran function in module chfl_residue) copy() (fortran subroutine in module chfl_atom) (fortran subroutine in module chfl_cell) (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_residue) (fortran subroutine in module chfl_selection) (fortran subroutine in module chfl_topology) covalent_radius() (fortran function in module chfl_atom)

D

dihedral() (fortran function in module chfl_frame) dihedrals() (fortran subroutine in module chfl_topology)

dihedrals_count() (fortran function in module chfl_topology) distance() (fortran function in module chfl_frame) double() (fortran function in module chfl_property)

E

evaluate() (fortran subroutine in module chfl_selection)

F

free() (fortran subroutine in module chfl_atom) (fortran subroutine in module chfl_cell) (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_property) (fortran subroutine in module chfl_residue) (fortran subroutine in module chfl_selection) (fortran subroutine in module chfl_topology)

from_matrix() (fortran subroutine in module chfl_cell) full_name() (fortran function in module chfl_atom)

G

get() (fortran function in module chfl_atom) (fortran function in module chfl_frame) (fortran function in module chfl_residue)

guess_bonds() (fortran subroutine in module chfl_frame)

H

has_velocities() (fortran function in module chfl_frame)

I

id() (fortran function in module chfl_residue) impropers() (fortran subroutine in module chfl_topology) impropers_count() (fortran function in module chfl_topology) init() (fortran subroutine in module chfl_atom) (fortran subroutine in module chfl_cell) (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_property) (fortran subroutine in module chfl_residue) (fortran subroutine in module chfl_selection) (fortran subroutine in module chfl_topology)

K

kind() (fortran function in module chfl_property)

L

lengths() (fortran function in module chfl_cell) list_properties() (fortran subroutine in module chfl_atom) (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_residue)

M

mass() (fortran function in module chfl_atom) matches() (fortran subroutine in module chfl_selection) matrix() (fortran function in module chfl_cell)

memory_buffer() (fortran subroutine in module chfl_trajectory) memory_reader() (fortran subroutine in module chfl_trajectory) memory_writer() (fortran subroutine in module chfl_trajectory)

N

name() (fortran function in module chfl_atom) (fortran function in module chfl_residue)

nsteps() (fortran function in module chfl_trajectory)

O

open() (fortran subroutine in module chfl_trajectory)

out_of_plane() (fortran function in module chfl_frame)

P

path() (fortran subroutine in module chfl_trajectory) positions() (fortran function in module chfl_frame)

properties_count() (fortran function in module chfl_atom) (fortran function in module chfl_frame) (fortran function in module chfl_residue)

R

read() (fortran subroutine in module chfl_trajectory) read_step() (fortran subroutine in module chfl_trajectory) remove() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology) remove_bond() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology)

residue() (fortran function in module chfl_topology) residue_for_atom() (fortran function in module chfl_topology) residues_count() (fortran function in module chfl_topology) residues_linked() (fortran function in module chfl_topology) resize() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_topology)

S

set() (fortran subroutine in module chfl_atom) (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_residue) set_angles() (fortran subroutine in module chfl_cell) set_cell() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_trajectory) set_charge() (fortran subroutine in module chfl_atom) set_lengths() (fortran subroutine in module chfl_cell) set_mass() (fortran subroutine in module chfl_atom) set_name() (fortran subroutine in module chfl_atom)

set_shape() (fortran subroutine in module chfl_cell) set_step() (fortran subroutine in module chfl_frame) set_topology() (fortran subroutine in module chfl_frame) (fortran subroutine in module chfl_trajectory) set_type() (fortran subroutine in module chfl_atom) shape() (fortran function in module chfl_cell) size() (fortran function in module chfl_selection) step() (fortran function in module chfl_frame) string() (fortran function in module chfl_property) (fortran function in module chfl_selection)

T

topology() (fortran function in module chfl_frame)

topology_file() (fortran subroutine in module chfl_trajectory) type() (fortran function in module chfl_atom)

V

vdw_radius() (fortran function in module chfl_atom) vector3d() (fortran function in module chfl_property)

velocities() (fortran function in module chfl_frame) volume() (fortran function in module chfl_cell)

W

wrap() (fortran subroutine in module chfl_cell)

write() (fortran subroutine in module chfl_trajectory)