#!/bin/bash
#COBALT -q default
#COBALT -A QMCPACK
#COBALT -n 1
#COBALT -t 120
#COBALT -O ppconv
LOCARGS="--block $COBALT_PARTNAME ${COBALT_CORNER:+--corner} $COBALT_CORNER ${COBALT_SHAPE:+--shape} $COBALT_SHAPE"
echo "Cobalt location args: $LOCARGS" >&2
/home/yeluo/qmcdev/trunk/src/QMCTools/ppconvert/build/ppconvert --gamess_pot O.BFD.gamess --s_ref "1s(2)2p(4)" --p_ref "1s(2)2p(4)" --d_ref "1s(2)2p(4)" --log_grid --upf O.BFD.upf