Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
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Updated
Oct 14, 2024 - Python
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
generates xsf-format files from lobster 3D-wavefunctions files
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
화학 분자간 결합을 나타내 주는 시뮬레이션 입니다.(제작중)
scientific python tutorial
Program that converts files representing atoms from atomic units to angstroms and generates a list of atomic bonds
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