Skip to main content
Back to top
Ctrl
+
K
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
Interpolation mechanics
Molecular dynamics
Conformational search
Localized properties
Empirical valence bond
Visualization
Jupyter notebooks
VIAMD software
Advanced users
Program structure
Source code structure
Programming style
References
References
Repository
Open issue
.md
.pdf
Interpolation mechanics
Contents
Force field generation
Interpolation mechanics
#
Force field generation
#
Contents
Force field generation
