xmolecule
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density_matrix
Subroutine
Gnu General Public License V3
16 statements
operations
density_matrix
Contents
public subroutine density_matrix(lc, occ, d)
computes the density matrix
Arguments
Type
Intent
Optional
Attributes
Name
real(kind=long),
intent(in)
::
lc
(:,:)
real(kind=long),
intent(in)
::
occ
(:)
real(kind=long),
intent(out)
::
d
(size(lc,1),size(lc,1))