4.1. Amsterdam Modeling Suite

PLAMS offers interfaces to main programs of the Amsterdam Modelling Suite: the AMS driver, ADF, ReaxFF and MOPAC, as well as some other small utility binaries like DENSF of FCF. All possible input keywords and options are covered, as well as extraction of arbitrary data from binary files (called KF files) produced by these programs.

• 4.1.1. Disclaimer about AMS2018
• 4.1.2. AMS driver
  • 4.1.2.1. Preparing input
  • 4.1.2.2. Preparing runscript
  • 4.1.2.3. Molecule handling
  • 4.1.2.4. AMSJob API
  • 4.1.2.5. AMSResults API
• 4.1.3. ADF
  • 4.1.3.1. Preparing input
    • 4.1.3.1.1. Special atoms in ADF
  • 4.1.3.2. Preparing runscript
  • 4.1.3.3. API
• 4.1.4. ReaxFF
• 4.1.5. MOPAC
  • 4.1.5.1. Preparing input
  • 4.1.5.2. API
• 4.1.6. Analysis tools: Densf, FCF
• 4.1.7. KF files
• 4.1.8. Legacy: BAND, DFTB, UFF