xmolecule
Manual
Modules
Block Data
Procedures
Derived Types
Programs
mcscf_procedure
Subroutine
Gnu General Public License V3
714 statements
mcscf
mcscf_procedure
Contents
public subroutine mcscf_procedure(p, a, g, b, f)
MCSCF procedure
Arguments
Type
Intent
Optional
Attributes
Name
type(
param
),
intent(in)
::
p
type(
atom_set
),
intent(in)
::
a
(:)
type(
grid3d
),
intent(in)
::
g
type(
basis
),
intent(inout)
::
b
type(
wf_data
),
intent(inout)
::
f