DP5

Contents:

Usage
Anatomy of a config file
API
- dp5.conformer_search
- dp5.dft
Analysis
DP5 Analysis
DFT Module
NMR Processing

DP5

API
dp5.dft
View page source

dp5.dft

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© Copyright 2024, Kristaps Ermanis, Alexander Howarth, Ruslan Kotlyarov, Benji Rowlands, Jonathan Goodman.

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