Vitor Hideyoshi 4ae8385918 Initial Folder Rework Implementation ...

Adds the Environment, External, Utils folder inside de DPpack. All classes are going to be implemented there

2022-05-31 09:13:08 -03:00

.vscode

Initial work in the Molecule and Atom class

2021-12-06 21:20:33 -03:00

diceplayer

Initial Folder Rework Implementation

2022-05-31 09:13:08 -03:00

control.yml

Initial Folder Rework Implementation

2022-05-31 09:13:08 -03:00

geoms.xyz

Creation of Binary with cx_Freeze

2022-02-21 13:55:21 +00:00

phb.ljc

Translation of Gaussian Processes and Step Calculations Fixes

2021-12-08 21:16:06 -03:00

setup.py

Creation of Binary with PyInstaller and Removal of Cx_Freeze

2022-02-24 03:22:20 +00:00

Description

Python Program for Molecular Optimization in Non-Vacuum Mediums

gaussian16python

751 KiB

Languages

Python 100%