ADF

Note

Data acquisition templates defined for the output file(s). If there are templates defined for other files, they will appear at the end of this list.

• nmr
  • program.header
  • nuclear.coordinates
  • nucleus
• dirac
  • program.header
• adf
  • program.header
  • model.parameters
    • parameters
    • fragment.files
    • solvation
  • adf.runtype
    • geometry
    • symmetry
  • adf.build
  • adf.technical
  • adf.computation
    • scf
    • geometry.cycle
  • adf.results
    • orbital.energies.spin.zora
    • orbital.energies.zora
    • orbital.energies
    • orbital.energies.spin
    • fit.test
    • mulliken
    • multipole
      • atomic.charges
      • atomic.charges.spin
      • spin.density
    • atomic.charges
    • atomic.charges.spin
    • spin.density
    • dipole.moment
    • quadrupole.moment
    • s2
    • bonding.energy
    • sfo.population
      • molecular.orbitals
    • molecular.orbitals
    • excitation.energy
  • adf.frequencyanalysis
    • masses
    • zeropoint
    • vibrations
    • intensities
    • thermochemistry
• quild.module
  • program.header
  • quild.coord
• logfile
• statistics
  • timing
• quild.iteration
  • quild.iteration.coord
• process.info
• input.file