vibrav
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ADF parser API
Generating the displaced structures from a Gaussian frequencies calculation
Molcas parser API
Using derivative module
Running vibronic calculations from a Molcas RASSI set of calculations
VROA intensities of hydrogen peroxide
VROA intensities of methyloxirane
Tutorial for using the ZPVC module in VIBRAV
vibrav package
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vibrav.vibronic package
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vibrav.vibron... »
Source
vibrav.vibronic package
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Submodules
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vibrav.vibronic.combine_ham module
combine_ham_files()
vibrav.vibronic.vibronic module
Vibronic
Vibronic.get_hamiltonian_deriv()
Vibronic.vibronic_coupling()