GitHub topics: chemical-bonding
WangYiXu92/LOPOSTER
A LOBSTER's postprocessor that can automatically plot the output from Local-Orbital Basis Suite Towards Electronic-Structure Reconstruction (available via http://cohp.de/)
Size: 1.03 GB - Last synced at: 9 days ago - Pushed at: 9 days ago - Stars: 1 - Forks: 0
arpitnarechania/d3-molecule
D3 based interactive visualization library + tool to make render atoms and molecules learning chemical bonding in a fun way.
Language: HTML - Size: 1.11 MB - Last synced at: 11 days ago - Pushed at: over 7 years ago - Stars: 45 - Forks: 16
JaGeo/LobsterPy
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
Language: Python - Size: 147 MB - Last synced at: 4 days ago - Pushed at: 12 days ago - Stars: 100 - Forks: 34
PatrickJTaylor/pengWann
A lightweight Python package for calculating descriptors of chemical bonding and local electronic structure from Wannier functions.
Language: Python - Size: 93.3 MB - Last synced at: 12 days ago - Pushed at: 12 days ago - Stars: 9 - Forks: 1
yangwangmadrid/mbfo
A program for Maximum Bonding Fragment Orbital (MBFO) analysis
Size: 937 KB - Last synced at: over 1 year ago - Pushed at: about 2 years ago - Stars: 4 - Forks: 0
fatimatisha/Edumation-Lab
An Animation on Chemical Bond
Size: 7.28 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 1 - Forks: 1
junyg418/chemical-bonds-simulation
화학 분자간 결합을 나타내 주는 시뮬레이션 입니다.(제작중)
Language: Python - Size: 25.4 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 1
rnels12/LOBSTERWF2XSF
generates xsf-format files from lobster 3D-wavefunctions files
Language: C++ - Size: 1.95 KB - Last synced at: over 2 years ago - Pushed at: over 3 years ago - Stars: 3 - Forks: 0
tomekrzymyszkiewicz/chemical-bonds
Program that converts files representing atoms from atomic units to angstroms and generates a list of atomic bonds
Language: Python - Size: 126 KB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0
VLSF/SkScPy
scientific python tutorial
Language: Jupyter Notebook - Size: 570 KB - Last synced at: about 2 years ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 0
