glibaniosr

ORCA_run

Script to help start and use ORCA quantum chemistry software

ORCA-read-for-glowfreqs

Python script to prepare .info files for the glowfreqs program from ORCA quantum chemistry calculations.

Gamess-MD-Frame-Creator

Python code for joining multiple files/ from a molecular dynamics, that contains frames in xyz coordinates.

glibplot

Python script that uses matplotlib to easily create plots from txt files with two columns of x and y values.

interPES

Interpolate xyz coordinates from two structures to create a PES (ORCA support)

ONIOM-Analyser

Python script to analyse ONIOM output (log) files from Gaussian

orcatools

Atomic-DFT-SCF

Educational Simple Fortran Program to Calculate the Electronic Energy of an Atom Through DFT

orca-bashtools