# Configuration file (markdown format) ## No category * A string containing a filename filename = 'another_file' ## general * a basis file with its location basis = './pool/BFD-T-normf0' * output directory output_directory = './' * a pool directory containing required files pool = './pool' * a pseudopotential file with its location pseudo = './pool/BFD' ## mixed * Maximum iterations maximum_iterations = 1000 * Restart VMC ? restart_vmc = T * Trial energies trial_energy = 12.000000 12.400000 12.600000 12.800000 13.000000 * Energy unit unit = 'Ha' ## No category * Molecule's coordinates in xyz file format molecule = 'benzene.xyz' ## optimization_flags * optimize ci optimize_ci = T * optimize jastrow optimize_jastrow = T * optimize orbitals optimize_orbitals = T * optimize wavefunctions optimize_wavefunction = F ## No category * A string containing a filename title = 'A sample champ input file specification in config format'