GitHub topics: quantumchemistry
TheoChem-VU/TCutility
Utility functions/classes for the TheoCheM programs
Language: Python - Size: 148 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 7 - Forks: 0
QiDawei98/Flower_Lane
Perform Non-Covalent Interaction (NCI) analysis from VASP CHGCAR files.
Language: Python - Size: 22.5 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 1 - Forks: 0
Ionizing/uc
Energy unit converter for quantum chemistry. Just a toy written in Haskell.
Language: Haskell - Size: 39.1 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 1 - Forks: 0
raghurama123/OrcaNotes
Sample inputs and notes for the quantum chemistry program Orca
Size: 264 KB - Last synced at: about 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
