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
Jan 14, 2025 - Python
Content-Length: 279041 | pFad | http://github.com/topics/chemical-bonding
F2Package 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
A lightweight Python package for calculating well-established descriptors of chemical bonding from Wannier functions.
Program that converts files representing atoms from atomic units to angstroms and generates a list of atomic bonds
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