Search input files

  • search.steu: Lists some search parameters (from SEARCH_CONVERGENCE and SEARCH_MAX_GEN), which \(R\) factor to use (R_FACTOR_TYPE), the atom variations (as determined from DISPLACEMENTS), and the starting configuration (see SEARCH_START).

  • rf.info: Contains the information for calculating the \(R\) factor during the search: The energy range (combined from THEO_ENERGIES and EXPBEAMS.csv), V0_IMAG, IV_SHIFT_RANGE, R_FACTOR_SMOOTH, and the relationship of experimental and theoretical beams (including how to average them). Also contains the entire AUXEXPBEAMS file.

  • restrict.f: Fortran source code file. Contains additional parameter constraints, based on the DISPLACEMENTS file. Compiled with the rest of the search fortran files at runtime.

  • search-PARAM: Defines static fortran array sizes. Mostly generated automatically from all other input, but also defines the search population size SEARCH_POPULATION. Compiled with the search fortran files at runtime.