Révision 12 examples/Mopac/CSMe6_cart/run_Path
run_Path (revision 12) | ||
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# |
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# Where is Path.exe ?? |
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# |
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PathExe=~/Programs/Chemin/OpenPath/src/Path.exe
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PathExe=~/Programs/Chemin/optnpath/src/Path.exe
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# |
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### MOPAC Stuff |
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# In fact, this is useless as they are defined again in the mopac script |
... | ... | |
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set -x |
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## You might have to change MOPAC_ROOT and/or MOPAC_LICENSE |
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export MOPAC_ROOT=~/Programs/MOPAC2009
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export MOPAC_ROOT=~/Programs/MOPAC2012
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export MOPAC_LICENSE=\${MOPAC_ROOT} |
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export mopac=\${MOPAC_ROOT}/MOPAC2009.exe
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export mopac=\${MOPAC_ROOT}/MOPAC2012.exe
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echo "Running \${mopac} \$1" |
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\${mopac} \$1 |
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