Mateus-RB / MoleKing

MoleKing is a python module for chemists aiming to add common principles to python. This module adds new types of python variables, MoleKing_Molecule; MoleKing_Atom; MoleKing_SupraMolecule, and MoleKing_Output, alongside many features considered common knowledge among chemists.
MIT License
1 stars 0 forks source link

Add matrix-Z and connective like to gaussian input #32

Open phfmatias opened 9 months ago

phfmatias commented 9 months ago

idk

Mateus-RB commented 9 months ago

The connectivity follows the IRC bond structure

phfmatias commented 4 months ago

@Mateus-RB we already added zmatrix to gaussian input as wee see in #69. We have only to add the connective.