deepmodeling / deepmodeling/reacnetgenerator

error with detecting species

Open
#1,667 1 comment 0 reactions 0 assignees View on GitHub
upstream
Dominant language
Python
Stars
103
Forks
46
Avg merge
7d 8h
Merged PRs (30d)
27

Description

Dear developer,

As shown in the picture, there is an unknown symbol in the red circle, which may be the overlap between O and H. And there is an unreasonable bond between Ca and O. What is the problem?
![图片1](https://user-images.githubusercontent.com/75162924/185871393-8a752059-76a7-4141-9419-6efa9b27cf5c.png)

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.