Building the VTST code into VASP 5.4.4

Vasp transition state theory tools

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woodlander
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Building the VTST code into VASP 5.4.4

Post by woodlander » Wed Jun 13, 2018 6:17 am

When we try to build the VTST code into VASP 5.4.4, there are some issues.

it seems VASP 5.4.4 comes with a totally different makefile, which doesn’t match the installation procedure from http://henkelmanlab.org/vtsttools/installation.html.

In particular, this instruction: “Find the variable SOURCE, which defines which objects will be built, and add the following objects before chain.o"
There is no more SOURCE var or chain.o specification in the makefile we have.

anyone for suggestion? thanks.

graeme
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Re: Building the VTST code into VASP 5.4.4

Post by graeme » Wed Jun 13, 2018 2:04 pm

Thanks for the note - I need to update those directions.

The relevant file is /src/.objects - you can add the vtst objects there as in the instructions.

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