def read_cell_and_scale(system, cell_parameters): from numpy import identity, array if system.ibrav == 0: return _read_free(system, cell_parameters) elif system.ibrav == 1: return identity(3, dtype='float64'), _get_scale(system) elif system.ibrav == 2: return 0.5 * array([[-1, 0, 1], [0, 1, 1], [-1, 1, 0]], dtype='float64').transpose(),\ _get_scale(system) elif system.ibrav == 3: return 0.5 * array([[1, 1, 1], [-1, 1, 1], [-1, -1, 1]], dtype='float64').transpose(),\ _get_scale(system) elif system.ibrav == 4: return _read_hexa(system) elif system.ibrav == 5: logger.warning('ibrav=5 has not been tested') return _read_trig(system) elif system.ibrav == -5: logger.warning('ibrav=-5 has not been tested') return _read_mtrig(system) else: NotImplementedError("Reading from this kind of lattice has not been implemented")
def qstat(self, arg): """ SList of user's jobs. The actual print-out and functionality will depend on the user-specified function :py:func:`pylada.ipython_qstat`. However, in general %qstat should work as follows: >>> %qstat [ 'id something something jobname' ] It returns an SList_ of all the users jobs, with the job-id as the first column and the job-name ass the last. The results can be filtered using SList_'s grep, or directly as in: >>> %qstat hello [ 'id something something hellorestofname' ] .. _SList: http://ipython.org/ipython-doc/stable/api/generated/IPython.utils.text.html#slist """ import pylada if not hasattr(pylada, 'ipython_qstat'): logger.warning("Missing ipython_qstat function: cannot use %qstat") return [] ipython_qstat = pylada.ipython_qstat arg = arg.rstrip().lstrip() if len(arg) != 0 and '--help' in arg.split() or '-h' in arg.split(): print(self.qstat.__doc__ + '\n' + ipython_qstat.__doc__) return result = ipython_qstat(self, arg) if len(arg) == 0: return result return result.grep(arg, field=-1)