Create tests for damping parameters - Githubissues

dftd4 / cpp-d4

C++ port of DFT-D4

GNU Lesser General Public License v3.0

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Create tests for damping parameters #8

Closed marvinfriede closed 1 year ago

marvinfriede commented 1 year ago

adapt the Fortran parameter test without cutoffs
add missing parameters (available functionals are up-to-date with DFT-D4 3.4.0)