prune_basis Subroutine

public subroutine prune_basis(inBas, xyzv, xyzat, nSh, nPrim, nBf, outSh, outShNG, outPrim, atoms)

@brief Find shells and primitives which are significant in a given set of 3D coordinates @author Vladimir Mironov

Arguments

Type	Intent	Optional	Attributes		Name
type(basis_set),	intent(in)			::	inBas
real(kind=fp),	intent(in)			::	xyzv(:,:)
real(kind=fp),	intent(in)			::	xyzat(:)
integer,	intent(out)			::	nSh
integer,	intent(out)			::	nPrim
integer,	intent(out)			::	nBf
integer,	intent(out),		contiguous	::	outSh(:)
integer,	intent(out),		contiguous	::	outShNG(:)
integer,	intent(out),		contiguous	::	outPrim(:)
type(atomic_structure),	intent(in)			::	atoms