Open mamubeen29 opened 3 hours ago
Hey, the analysis functions are just archived files. that I have used for analyzing trajectories. May be you don't need to use it. In the main code, u can see generate_descriptors only. you can use it. Try to change generate_descriptors_amptorch with generate_descriptors. also, Asap3 you can install using pip/
i run this code for Ag3Pd7Au5 for 40000 episodes, but it stucked at 9 or 10000, not proceeding further.
while doing analysis_single_episode_traj , import glob from generate_descriptors_amptorch import Generate_acsf_descriptor, Generate_soap_descriptor from ase.io import read, write, Trajectory import matplotlib.pyplot as plt import seaborn as sns from asap3 import EMT import numpy as np import os
ModuleNotFoundError Traceback (most recent call last) Cell In[1], line 2 1 import glob ----> 2 from generate_descriptors_amptorch import Generate_acsf_descriptor, Generate_soap_descriptor 3 from ase.io import read, write, Trajectory 4 import matplotlib.pyplot as plt
ModuleNotFoundError: No module named 'generate_descriptors_amptorch'
This module is not available , can you encounter this issue, same for asap3 also