Chimie Théorique » Opt'n Path

#!/bin/bash

######################################

#

# you might have to change the following variables

#

######################################

#

# Name of the input file

#

Job=HCN_zmat

#

# Where is Path.exe ??

#

PathExe=../../../src/Path.exe

#

# Where is Siesta ?

#

ln -s  ~/Programs/Siesta/siesta-3.1/Obj/siesta .

#

#

# Some libraries might be defined here...

#

#

#Usually nothing has to be changed after this line

#

#################################################

###############################

#

# We launch PATH

#

###############################

ln -fs ${PathExe} .

./Path.exe ${Job}.path &> ${Job}.out