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16 lines
265 B
Bash
Executable File
16 lines
265 B
Bash
Executable File
#!/bin/bash
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## Generate input for water-n2 and water-sp. Argument $1 is the number of
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# processors.
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# File format:
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# TSTEP NMOL NSTEP NORDER
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# NSAVE NRST NPRINT NFMC
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# NumProcs CUTOFF
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cat <<EOF
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1.5e-16 512 3 6
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-1 3000 3 0
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${1} 6.212752
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EOF
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