#!/bin/csh -f #TEST-PROGRAM nmode #TEST-DESCRIP find normal modes, with a restraint weighting #TEST-PURPOSE regression, basic #TEST-STATE ok echo " " echo NMODE: find normal modes, with a restraint weighting ../../bin/nmode -O \ -i nmode_4.in \ -c nmode_0.rst \ -p parm.top \ -v vecs \ -ref nmode_0.rst \ -o vibsr.out || goto error ../dacdif vibsr.out.save vibsr.out # degenerate eigenvectors might not be the same on all machines, so # following test needs some work to be portable: # ../dacdif vecs.save vecs exit(0) error: echo " ${0}: Program error" echo " " exit(1)