evangelistalab / fortecubeviewLinks
A simple cube file viewer based on pythreejs
☆24Updated last year
Alternatives and similar repositories for fortecubeview
Users that are interested in fortecubeview are comparing it to the libraries listed below
Sorting:
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated 11 months ago
- optking: A molecular geometry optimization program☆23Updated 3 months ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated this week
- Learning Machine Learning☆14Updated last year
- A Python script for rendering cube files generated by Psi4☆17Updated 2 months ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆31Updated 2 months ago
- Fast continuum solvation based on domain decomposition☆23Updated last month
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 9 months ago
- A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.☆20Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 3 months ago
- systematic molecular fragmentation by annihilation☆11Updated 5 years ago
- CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…☆13Updated last year
- This library tackles the construction and efficient execution of computational chemistry workflows☆47Updated last year
- Tight Binding Machine Learning Toolkit☆38Updated 2 weeks ago
- A PSI4 plugin for X-ray absorption spectra (XPS, NEXAFS, PP-NEXAFS)☆11Updated last year
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- Yet Another extended Hueckel Molecular Orbital Package☆23Updated 2 months ago
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆34Updated last month
- A PyMOL plugin for visualizing vibrations in molecules and solids☆42Updated 8 months ago
- APDFT calculates quantumchemical results for many molecules at once.☆14Updated last year
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆49Updated 8 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆33Updated this week
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆31Updated 7 months ago
- helPME: an efficient library for particle mesh Ewald☆28Updated 3 years 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 9 months ago
- Reusable DFT Grids for the Masses☆16Updated last year
- Quick Reaction Coordinate using Python☆38Updated 11 months ago
- Parallel implementation of the Effective Fragment Potential Method☆24Updated 2 years ago
- PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.☆52Updated last month
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆31Updated 2 years ago