| bart | 8a2cd9b | 2008-06-19 07:49:49 +0000 | [diff] [blame] | 1 | #!/bin/bash |
| 2 | |||||
| 3 | ## Generate input for water-n2 and water-sp. Argument $1 is the number of | ||||
| 4 | # processors. | ||||
| 5 | |||||
| bart | bd6722b | 2008-07-10 13:58:32 +0000 | [diff] [blame] | 6 | # File format: |
| 7 | # TSTEP NMOL NSTEP NORDER | ||||
| 8 | # NSAVE NRST NPRINT NFMC | ||||
| 9 | # NumProcs CUTOFF | ||||
| 10 | |||||
| bart | 8a2cd9b | 2008-06-19 07:49:49 +0000 | [diff] [blame] | 11 | cat <<EOF |
| 12 | 1.5e-16 512 3 6 | ||||
| 13 | -1 3000 3 0 | ||||
| 14 | ${1} 6.212752 | ||||
| 15 | EOF | ||||