mirror of https://gitlab.com/QEF/q-e.git
41 lines
1.3 KiB
Fortran
41 lines
1.3 KiB
Fortran
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!
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! Copyright (C) 2002 FPMD group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!------------------------------------------------------------------------------!
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MODULE ions_base
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!------------------------------------------------------------------------------!
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USE kinds, ONLY: dbl
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USE parameters, ONLY: nsx
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!
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IMPLICIT NONE
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SAVE
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! nsp = number of species
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! na(is) = number of atoms of species is
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! nax = max number of atoms of a given species
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! nat = total number of atoms of all species
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INTEGER :: nsp = 0
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INTEGER :: na(nsx) = 0
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INTEGER :: nax = 0
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INTEGER :: nat = 0
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! zv(is) = (pseudo-)atomic charge
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! pmass(is) = mass (converted to a.u.) of ions
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! rcmax(is) = Ewald radius (for ion-ion interactions)
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REAL(dbl) :: zv(nsx) = 0.0d0
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REAL(dbl) :: pmass(nsx) = 0.0d0
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REAL(dbl) :: rcmax(nsx) = 0.0d0
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!
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!------------------------------------------------------------------------------!
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END MODULE ions_base
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!------------------------------------------------------------------------------!
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