Table of Contents
General References
ADF
BAND
DFTB
MOPAC
COSMO-RS
ReaxFF
GUI
QUILD
PyMD
Feature References ADF
Coordinates, basis sets, fragments
Geometry optimizations, transition states, and reaction paths
Model Hamiltonians
Molecular properties with ADF
Analysis
Feature References BAND
Geometry optimization
TDDFT
NMR
ESR
ReaxFF Force Field References
DFTB Parameter References
External programs and Libraries used by the ADF package
Tcl/Tk
Tcllib, including tklib (the Tcl standard library)
VTK
BLAS
LAPACK
ScaLAPACK
Python 2.6
Numpy
Open MPI
Platform MPI 7
OpenBabel
ASE
PLUMED
Packmol
Symmol
MEAD
Swish-e
FFTW
XCFun

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