Re-compiling binary after changes to a particular module in NWCHEM

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Vijay Mocherla

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Mar 11, 2022, 8:38:13 PM3/11/22
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Hi,

I am trying to run some real time TDDFT calculations with NWCHEM and have added/modified a few code snippets to include some functionalities for these simulations.

I tried to recompile just the modified  *.f files and the entire code in $NWCHEM_TOP/src/nwdft/rt_tddft but the changes made do not reflect when I try to run the calculations.

Is there a way to update the main binary with these changes without having to use make all over again for the entire package.

Thanks,

Vijay

Edoardo Aprà

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Mar 11, 2022, 8:39:48 PM3/11/22
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cd $NWCHEM_TOP/src/nwdft/rt_tddft
make FC=ifort

cd $NWCHEM_TOP/src
make FC=ifort link
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