fevangelista / vmd_cubeLinks
A Python script for rendering cube files generated by Psi4
☆19Updated 8 months ago
Alternatives and similar repositories for vmd_cube
Users that are interested in vmd_cube are comparing it to the libraries listed below
Sorting:
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 4 months ago
- Fast continuum solvation based on domain decomposition☆25Updated last month
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆33Updated last year
- systematic molecular fragmentation by annihilation☆11Updated 6 years ago
- std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…☆47Updated last month
- APDFT calculates quantumchemical results for many molecules at once.☆14Updated 2 years ago
- A simple cube file viewer based on pythreejs☆25Updated 2 years ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆44Updated 7 months ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated 2 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆35Updated 3 weeks ago
- This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable …☆15Updated last year
- Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.☆54Updated 3 years ago
- Quick Reaction Coordinate using Python☆39Updated last year
- Basis set optimization library for quantum chemistry☆35Updated 5 months ago
- Yet Another extended Hueckel Molecular Orbital Package☆27Updated 2 weeks ago
- Extended conductor-like polarizable continuum solvation model☆21Updated 8 months ago
- This repository contains wrapper scripts compatible with the otool_external interface in ORCA.☆35Updated 2 months ago
- DensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also include…