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Getting started
Pushing the limits
Installing the program
Running on a laptop/desktop
Running on a cluster
Input text file keywords
Model chemistry
Molecule
Reference states
Exchange–correlation functionals
Basis sets
Hamiltonian
Environment
Properties
Potential energy surfaces
UV/vis absorption/emission
Optical activity and dichroism
Vibrational spectroscopies
Magnetic resonances
Linear response
Multi-photon interactions
X-ray spectroscpies
Classical methods
Molecular mechanics
Molecular dynamics
Conformational search
Solvation Builder
MOF Builder
Localized properties
Interpolation mechanics
Empirical valence bond
Visualization
Jupyter notebooks
VIAMD software
Advanced users
Program structure
Source code structure
Programming style
References
References
Repository
Open issue
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.pdf
X-ray spectroscpies
X-ray spectroscpies
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