dpdata.openmx package
dpdata.openmx.omx module
- dpdata.openmx.omx.load_atom(lines)[source]
- dpdata.openmx.omx.load_cells(lines)[source]
- dpdata.openmx.omx.load_coords(lines, atom_names, natoms)[source]
- dpdata.openmx.omx.load_data(mdname: FileType, atom_names, natoms)[source]
- dpdata.openmx.omx.load_energy(lines)[source]
- dpdata.openmx.omx.load_force(lines, atom_names, atom_numbs)[source]
- dpdata.openmx.omx.load_param_file(fname: FileType, mdname: FileType)[source]
- dpdata.openmx.omx.to_system_data(fname: FileType, mdname: FileType)[source]
- dpdata.openmx.omx.to_system_label(fname, mdname)[source]