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.core package
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vibrav.core.c... »
Source
vibrav.core package
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Submodules
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vibrav.core.config module
Config
Config.open_config()
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