Loading minimize_energy_script.py +2 −2 Original line number Diff line number Diff line Loading @@ -95,7 +95,7 @@ def fit_L_min_epot(func, dfunc, data_dict): return roots_dict, func_name if __name__ =='__main__': print("Give initial values for lattice constants in Angstom (e.g. 1.9) \n") print("Give initial values for lattice constants in Angstrom (e.g. 1.9) \n") L_init_values["sc"] = float(input("Simple Cubic: ")) L_init_values["fcc"] = float(input("Face Centered Cubic: ")) L_init_values["bcc"] = float(input("Body Centered Cubic: ")) Loading Loading
minimize_energy_script.py +2 −2 Original line number Diff line number Diff line Loading @@ -95,7 +95,7 @@ def fit_L_min_epot(func, dfunc, data_dict): return roots_dict, func_name if __name__ =='__main__': print("Give initial values for lattice constants in Angstom (e.g. 1.9) \n") print("Give initial values for lattice constants in Angstrom (e.g. 1.9) \n") L_init_values["sc"] = float(input("Simple Cubic: ")) L_init_values["fcc"] = float(input("Face Centered Cubic: ")) L_init_values["bcc"] = float(input("Body Centered Cubic: ")) Loading