Initial condition
I think that in this moment, with this commit, both extf.f and dynamicstools.py are working as expected, with documentation and tests on place.
for dynamicstools.py I miss just to write the h5 file in case of frequencies calculations, but as it is right now it should work properly with molden files.
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Documentation updated or not needed. -
Test created or not needed. -
Attribution in source files and CONTRIBUTORS.md
updated if necessary.
Edited by Alessio Valentini