atm_spec.F90 File Reference

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Data Types
type	atm_spec::atm_t
type	atm_spec::spec_t

Modules
module	atm_spec

Variables
integer, save	atm_spec::nat
	Number of atoms. More...
integer, save	atm_spec::ntyp
	Number of species (elements) More...
real(8), save	atm_spec::vcell
	Unit cell volume [Bohr^3]. More...
real(8), save	atm_spec::nelec
	Number of electrons per u.c. More...
real(8), dimension(3, 3), save	atm_spec::avec
	Unit lattice vector [Bohr]. More...
real(8), dimension(3, 3), save	atm_spec::bvec
	Unit reciplocal lattice vector [Bohr^-1]. More...
type(atm_t), dimension(:), allocatable, save	atm_spec::atm
	(nat) Atom More...
type(spec_t), dimension(:), allocatable, save	atm_spec::spec
	(ntyp) Species More...