标题: 求助，idpp.py生成过渡态出错 [打印本页] 作者Author: 564059617 时间: 2023-3-31 09:12 标题: 求助，idpp.py生成过渡态出错 idpp.py:230: RuntimeWarning: invalid value encountered in true_divide
tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:231: RuntimeWarning: invalid value encountered in true_divide
tau2 = tmp2/np.linalg.norm(tmp2)
idpp.py:244: RuntimeWarning: invalid value encountered in true_divide
tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:245: RuntimeWarning: invalid value encountered in true_divide
tau2 = tmp2/np.linalg.norm(tmp2)
idpp.py:237: RuntimeWarning: invalid value encountered in true_divide
tau1 = tmp1/np.linalg.norm(tmp1)
idpp.py:238: RuntimeWarning: invalid value encountered in true_divide
tau2 = tmp2/np.linalg.norm(tmp2)
sorry, idpp can't reach converging! you may change the parameters or make the initial path by yourself!!!