reduced Convert the current cell to its Niggli-reduced form shift Shift all positions of atoms by a set amount rotate Rotate all positions of atoms with fixed unit cell vectors
transform Apply a transformation matrix to convert between unit cells shell Print nearest neighbor shells for atoms in the structure neighbors Print nearest neighbors lists for atoms in the structure fix Fix cell parameters and positions that are defined name Change the file name to which a structure is written print Control format and location of writing structures tolerance Set the maximum cartesian distance for values to be equal time Print the time to complete a single call to mint display Set the level of runtime output to show n Set the number of processors in external mpi jobs List of functions in this document and brief descriptions: Results are not preceded by any identifier (o, w, or e) and will be printed to stdout (with the exception of structures, which may be printed to a file - see the setting "usestdout" or the function "-print"). The other output category, results, is always printed. Warnings and errors are always shown, but ordinary output can be supressed since it often gives far more information than is needed (see the setting "displaylevel" or the function "-display"). Each line from runtime output is preceeded by o:, w:, or e:, which coorespond to ordinary output, warnings, and errors, respectively. This can be useful be degbugging purposes and may give more detailed information than what is shown in the results.
Runtime output shows details of each function call as they occur. General output is divided into two catagories: runtime and results. optimizations) more detailed log files will be created in order to organize output more efficiently. General output will be directed to stdout. These settings have the lowest weight and are overwritten by any files or settings passed in on the command line. Mint will automatically read this file if it is present. This file should be named ".mint_settings" and appear in your home directory. tolerance) overwrite anything supplied by file.Ī global settings file can also be created to change default values. Any settings applied on the command line (e.g. Settings in _settings1 would be applied, followed by _settings2 (overwriting values in _settings1 if defined also in _settings2). Mint _settings1 _settings2 _files -_function1.
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