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.vroa package
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vibrav.vroa.v... »
Source
vibrav.vroa package
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Submodules
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vibrav.vroa.vroa module
VROA
VROA.make_complex()
VROA.raman_int_units()
VROA.vroa()