xmolecule
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transform_twoel_allactive
Subroutine
Gnu General Public License V3
100 statements
hartreefock
transform_twoel_allactive
Contents
public subroutine transform_twoel_allactive(p, ba, f, active, output)
transform all active 2el matrix elements into MO space
Arguments
Type
Intent
Optional
Attributes
Name
type(
param
),
intent(in)
::
p
type(
basis
),
intent(in)
::
ba
type(
wf_data
),
intent(inout)
::
f
integer,
intent(in)
::
active
(:)
integer,
intent(in)
::
output