xmolecule
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rotate_orbitals
Subroutine
Gnu General Public License V3
18 statements
secondorder_scf
rotate_orbitals
Contents
public subroutine rotate_orbitals(theta, pairs, c)
rotates orbital pairs by given angle theta
Arguments
Type
Intent
Optional
Attributes
Name
real(kind=long),
intent(in)
::
theta
(:)
type(
indep_mo_pair
),
intent(in)
::
pairs
(:)
real(kind=long),
intent(out)
::
c
(:,:)