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transition state search using dynamics
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[tsscds] Diff of /trunk/configure.ac
[tsscds]
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trunk
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configure.ac
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tsscds
Diff of /trunk/configure.ac
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revision 76, Thu Jul 20 07:46:54 2017 UTC
revision 77, Fri Jul 21 13:09:41 2017 UTC
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AC_MSG_NOTICE([
AC_MSG_NOTICE([
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+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
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***********************************************************
1) "Environment Modules" must be installed in this machine.
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1) Make sure that you have installed "Environment Modules"
Then, you may add the following to your .bash_profile:
Then, you could add the following to your .bash_profile:
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module use $prefix/modules
module use $prefix/modules
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***********************************************************
2) "Gaussian09" must be installed in this machine.
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2) Make sure that Gaussian09 is installed and it is
It must be invoked as:
invoked as:
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g09<input>output
g09<input>output
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