Searched refs:max_bond_length (Results 1 – 7 of 7) sorted by relevance
168 configSP->max_bond_length) * in CalculateParameters_()171 configSP->max_bond_length) * in CalculateParameters_()175 configSP->max_bond_length) * in CalculateParameters_()178 configSP->max_bond_length) * in CalculateParameters_()
117 printf ("maximal bond length: %f\n", configSP->max_bond_length); in PrintConfig_()
142 configSP->max_bond_length = 2.3; in ReadConfig_()768 if (d > 0.0) configSP->max_bond_length = d; in ReadConfig_()
153 double max_bond_length; /* In angstroms */ member
74 max_bond_length = numpy.max([81 ones_to_consider = numpy.nonzero(distances < max_bond_length * 1.2)101 '. Assuming ' + str(max_bond_length) + '.')102 bond_dist = max_bond_length
67 max_bond_length = ldict[species[i]] + ldict[species[j]] + tolerance73 if np.linalg.norm(distance_ij) < max_bond_length:
433 max_bond_length = ldict[species[i]] + ldict[species[j]] + tolerance437 if sum(np.linalg.norm(distance_ij, axis=0) < max_bond_length) > 0: