Révision e7d9c7e8 modules/formats.py

b/modules/formats.py
174 174
        chemical symbols.
175 175
    @return: list of collection-of-atoms objects. (rdkit.Mol, ase.Atoms, etc.)
176 176
    """
177

  
177
    from glob import glob
178 178
    atoms_list = []
179 179
    for conf in conf_list:
180 180
        if code == 'cp2k':
181
            read_coords_cp2k(conf)
181
            read_coords_cp2k(glob(f"{run_type}/{conf}/*-1.restart")[0],
182
                             spec_atms)
182 183

  
183 184
    return atoms_list
184 185

  

Formats disponibles : Unified diff