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.
A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.
generates xsf-format files from lobster 3D-wavefunctions files
A LOBSTER's postprocessor that can automatically plot the output from Local-Orbital Basis Suite Towards Electronic-Structure Reconstruction (available via http://cohp.de/)
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
Python library which seamlessly perform high-throughput DFT + ICOHP calculations along with all data analysis which is config Driven
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