m_gencif_sub Module Reference

Functions/Subroutines
subroutine	printcif (cbuf, aa, nkd, zn, nsi, kd, asi, na, nb, nc)
Variables
character(len=2), dimension(0:102)	atom_name = (/ , ,, ,,,,,,,, ,,,,,,,, ,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,,,,,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,,,,, /)
real(8), parameter	oneau = 0.52917721067d0
real(8), parameter	pi = 3.14159265358979323846d0

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Function/Subroutine Documentation

subroutine m_gencif_sub::printcif	(	character(len=*)	cbuf,
		real(8),dimension(3,3),intent(in)	aa,
		integer,intent(in)	nkd,
		real(8),dimension(nkd)	zn,
		integer,intent(in)	nsi,
		integer,dimension(nsi),intent(in)	kd,
		real(8),dimension(3,nsi)	asi,
		integer	na,
		integer	nb,
		integer	nc
	)

Definition at line 23 of file m_gencif_sub.f90.

References atom_name, and oneau.

Referenced by gencif().

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Variable Documentation

character(len=2),dimension(0:102) m_gencif_sub::atom_name = (/ , ,, ,,,,,,,, ,,,,,,,, ,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,,,,,, ,,,,,,,,,, ,,,,,, ,, ,,,,,,,,,,,,, /)

Definition at line 5 of file m_gencif_sub.f90.

Referenced by gencif(), and printcif().

real(8),parameter m_gencif_sub::oneau = 0.52917721067d0

Definition at line 20 of file m_gencif_sub.f90.

Referenced by printcif().

real(8),parameter m_gencif_sub::pi = 3.14159265358979323846d0

Definition at line 21 of file m_gencif_sub.f90.