Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
-
Updated
Nov 11, 2024 - Python
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
화학 분자간 결합을 나타내 주는 시뮬레이션 입니다.(제작중)
Program that converts files representing atoms from atomic units to angstroms and generates a list of atomic bonds
Add a description, image, and links to the chemical-bonding topic page so that developers can more easily learn about it.
To associate your repository with the chemical-bonding topic, visit your repo's landing page and select "manage topics."