Searched refs:cart2zmat (Results 1 – 2 of 2) sorted by relevance
478 zstr0 = gto.cart2zmat(coord)481 zstr1 = gto.cart2zmat([x[1] for x in atoms])486 zstr0 = gto.cart2zmat(coord)489 zstr1 = gto.cart2zmat([x[1] for x in atoms])
1880 zmat = cart2zmat(coords).splitlines()3653 def cart2zmat(coord): function