~~NOTOC~~ ====== IMD ====== ---- If ''imdpotsteps'' is given in the [[parameters|parameter file]], potentials in [[http://imd.itap.physik.uni-stuttgart.de/|IMD]] format will be written. The prefix of these files is determined with the ''imdpot'' parameter. The number of files depends on the potential model. After the optimization, //potfit// writes the names of all files it creates to stdout, e.g.: IMD pair potential written to imdpot_phi.imd.pt IMD transfer function written to imdpot_rho.imd.pt IMD embedding function written to imdpot_F.imd.pt ==== pair potentials ==== A single file with the name imdpot_phi.imd.pt is created. It contains all pair potentials. ==== EAM potentials ==== In addition to the pair potential there is the transfer function in imdpot_rho.imd.pt and the embedding function in imdpot_F.imd.pt ==== ADP potentials ==== All files from EAM will be created plus the dipole part in imdpot_upot.imd.pt and the quadrupole part in imdpot_wpot.imd.pt ==== Coulomb / Dipole ==== The electostatic interactions (including the non-electrostatic short-range part) are given by analytical potentials so far. A single file with the name imdpot_charges.imd is created. It contains all required parameters. The contents of this file have to be copied **into** the IMD parameter file.