Provided by: ase_3.22.1-3_all
NAME
ase - ASE command line tool
DESCRIPTION
usage: ase [-h] [--version] [-T] {help, info, test, gui, db, run, band-structure, build, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec} ... ASE command line tool. options: -h, --help show this help message and exit --version show program's version number and exit -T, --traceback Sub-commands: {help, info, test, gui, db, run, band-structure, build, dimensionality, eos, ulm, find, nebplot, nomad-upload, nomad-get, convert, reciprocal, completion, diff, exec} help Help for sub-command. info Print information about files or system. test Run ASE's test-suite. gui ASE's graphical user interface. db Manipulate and query ASE database. run Run calculation with one of ASE's calculators. band-structure Plot band-structure. build Build an atom, molecule or bulk structure. dimensionality Analyze the dimensionality of the bonded clusters in a structure, using eos Calculate EOS from one or more trajectory files. ulm Manipulate/show content of ulm-file. find Find files with atoms in them. nebplot Analyze NEB trajectories by making band plots. nomad-upload Upload files to NOMAD. nomad-get Get calculations from NOMAD and write to JSON files. convert Convert between file formats. reciprocal Show the reciprocal space. completion Add tab-completion for Bash. diff Print differences between atoms/calculations. exec Execute code on files.