Computational chemistry formats

• ABINIT Output Format (abinit)
  • Read Options
• ACES input format (acesin)
• ACES output format (acesout)
  • Read Options
• ADF Band output format (adfband)
• ADF DFTB output format (adfdftb)
• ADF cartesian input format (adf)
  • Read Options
• ADF output format (adfout)
  • Read Options
• CAChe MolStruct format (cac, cache)
• CASTEP format (castep)
• Cacao Cartesian format (caccrt)
  • Read Options
• Cacao Internal format (cacint)
• Crystal 09 output format (c09out)
  • Read Options
• Culgi object file format (cof)
• DALTON input format (dalmol)
  • Read Options
  • Write Options
• DALTON output format (dallog)
  • Read Options
• DMol3 coordinates format (dmol, outmol)
  • Read Options
• Extended XYZ cartesian coordinates format (exyz)
  • Read Options
• FHIaims XYZ format (fhiaims)
  • Read Options
• Fenske-Hall Z-Matrix format (fh)
• GAMESS Input (gamin, inp)
  • Write Options
• GAMESS Output (gam, gamess, gamout)
  • Read Options
• GAMESS-UK Input (gukin)
• GAMESS-UK Output (gukout)
• GULP format (got)
• Gaussian Input (com, gau, gjc, gjf)
  • Write Options
• Gaussian Output (g03, g09, g16, g92, g94, g98, gal)
  • Read Options
• Gaussian Z-Matrix Input (gzmat)
  • Read Options
  • Write Options
• Gaussian formatted checkpoint file format (fch, fchk, fck)
  • Read Options
• HyperChem HIN format (hin)
• Jaguar input format (jin)
  • Read Options
• Jaguar output format (jout)
  • Read Options
• MOPAC Cartesian format (mop, mopcrt, mpc)
  • Read Options
  • Write Options
• MOPAC Internal (mopin)
  • Write Options
• MOPAC Output format (moo, mopout)
  • Read Options
• MPQC output format (mpqc)
  • Read Options
• MPQC simplified input format (mpqcin)
• Molpro input format (mp)
• Molpro output format (mpo)
  • Read Options
• NWChem input format (nw)
• NWChem output format (nwo)
  • Read Options
• ORCA input format (orcainp)
  • Write Options
• ORCA output format (orca)
  • Read Options
• PWscf format (pwscf)
• Parallel Quantum Solutions format (pqs)
• Q-Chem input format (qcin)
  • Write Options
• Q-Chem output format (qcout)
  • Read Options
• TurboMole Coordinate format (tmol)
  • Read Options
  • Write Options
• Turbomole AOFORCE output format (aoforce)
• VASP format (CONTCAR, POSCAR, VASP)
  • Read Options
  • Write Options
• ZINDO input format (zin)
  • Write Options