Changes in util/src/CalculateMass.sh.in [ae21a39:5db625]
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util/src/CalculateMass.sh.in (modified) (1 diff)
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util/src/CalculateMass.sh.in
rae21a39 r5db625 3 3 # calculates mass of a molecule in a XYZ file 4 4 5 ELEMENTSDB=" @bindir@/elements.db"5 ELEMENTSDB="/home/heber/workspace/ESPACK/bin/elements.db" 6 6 7 7 if [ -z "$1" ]; then
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