Révision 12 examples/Gaussian/SN2_cart/run_Path
| run_Path (revision 12) | ||
|---|---|---|
| 12 | 12 |
# |
| 13 | 13 |
# Where is Path.exe ?? |
| 14 | 14 |
# |
| 15 |
PathExe=~/Programs/Chemin/OpenPath/src/Path.exe
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| 15 |
PathExe=../../../src/Path.exe
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| 16 | 16 |
# |
| 17 | 17 |
### Gaussian Stuff |
| 18 | 18 |
# Change the path for g09root !!! |
| 19 |
export g09root=/home/pfleura2/G09 |
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| 19 |
export g09root=/home/pfleura2/Programs/G09
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| 20 | 20 |
export GAUSS_SCRDIR=/tmp |
| 21 | 21 |
source $g09root/g09/bsd/g09.profile |
| 22 | 22 |
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/lib/ |
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