Third party software

The references and required citations for the Amsterdam Modeling Suite can be found in the user manual of the specific programs.

Third party software used in the 2021.1 version of the Amsterdam Modeling Suite:

• ASE
• BLAS
• Boost Library
• ChemTraYzer
• CppAD
• Eigen library
• ffmpeg
• FFTW
• The Fortran Template Library (FTL)
• GBRV pseudopotentials
• Ipopt
• JSON-fortran
• LAPACK
• LibXC
• libxcb
• libxkbcommon
• Matplotlib
• MEAD
• MKMCXX
• OpenBabel
• OpenBLAS
• Open MPI
• Packmol
• PIL
• PiNN
• PLUMED
• PRIMME library
• Python 3.6
  • Numpy
  • SciPy
  • List of python dependencies
• Quantum ESPRESSO
• RDKit
• ScaLAPACK
• SchNetPack
• sGDML
• Spglib
• Swish-e
• Symmol
• Tcl/Tk
• Tcllib, including tklib (the Tcl standard library)
• TorchANI
• TRAVIS
• VTK
• XCFun
• XlsxWriter