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soft_basis_set Module Reference

Functions/Subroutines

subroutine, public create_soft_basis (orb_basis, soft_basis, eps_fit, rc, paw_atom, paw_type_forced, gpw_r3d_rs_type_forced)
 create the soft basis from a GTO basis

Detailed Description

History
none
Author
MI (08.01.2004)

Function/Subroutine Documentation

◆ create_soft_basis()

subroutine, public soft_basis_set::create_soft_basis ( type(gto_basis_set_type), pointer orb_basis,
type(gto_basis_set_type), pointer soft_basis,
real(dp), intent(in) eps_fit,
real(dp), intent(in) rc,
logical, intent(out) paw_atom,
logical, intent(in) paw_type_forced,
logical, intent(in) gpw_r3d_rs_type_forced )

create the soft basis from a GTO basis

Parameters
orb_basis...
soft_basis...
eps_fit...
rc...
paw_atom...
paw_type_forced...
gpw_r3d_rs_type_forced...
Version
1.0

Definition at line 59 of file soft_basis_set.F.

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