1 #!/bin/bash 2 3 ## Generate input for water-n2 and water-sp. Argument $1 is the number of 4 # processors. 5 6 # File format: 7 # TSTEP NMOL NSTEP NORDER 8 # NSAVE NRST NPRINT NFMC 9 # NumProcs CUTOFF 10 11 cat <<EOF 12 1.5e-16 512 3 6 13 -1 3000 3 0 14 ${1} 6.212752 15 EOF 16
