A fortran package and library for continuum embedding calculations in materials and molecules
☆21Jul 6, 2026Updated 2 weeks ago
Alternatives and similar repositories for Environ
Users that are interested in Environ are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Pseudopotential converter from upf to psp8☆11Jan 25, 2023Updated 3 years ago
- Some ongoing projects in Zhu's group☆28Mar 31, 2024Updated 2 years ago
- Python tools for quantum chemical calculations☆21Jan 19, 2024Updated 2 years ago
- ☆32Dec 27, 2024Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Band unfolding for phonons☆62Oct 23, 2024Updated last year
- CMake☆14Sep 1, 2024Updated last year
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- Band structure unfolding made easy!☆67Jul 6, 2026Updated 2 weeks ago
- Make better chemistry documentation!☆15Nov 20, 2024Updated last year
- ase interface for Quantum Espresso☆22Feb 27, 2021Updated 5 years ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆15May 18, 2026Updated 2 months ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- An interactive data exploration tool for json structured ionic liquid data from ILThermo (NIST)☆12Mar 1, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 9 years ago
- ☆17Jan 2, 2021Updated 5 years ago
- High-Performance configuration patterns and recipes.☆46Jun 2, 2026Updated last month
- Analysis of quantum chemical interactions in molecules and solids.☆121Updated this week
- A tool for plotting phonon dispersion curves and phonon density of states.☆11Oct 1, 2020Updated 5 years ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆29Updated this week
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- OpenRSP: open-ended response theory.☆16Aug 16, 2020Updated 5 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆25Dec 28, 2021Updated 4 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆16Jun 15, 2020Updated 6 years ago
- Forward mode automatic differentiation for Fortran☆25Dec 4, 2025Updated 7 months ago
- Visualize interactively phonon dispersions and their eigenvectors☆15Feb 7, 2025Updated last year
- "No non-poetic account of reality can be complete." ― John Myhill☆12Nov 18, 2019Updated 6 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆132Feb 5, 2025Updated last year
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆17Mar 24, 2025Updated last year
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆14Mar 23, 2023Updated 3 years ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- ☆16Aug 5, 2022Updated 3 years ago
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- dlePy☆10Dec 25, 2021Updated 4 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆20Apr 21, 2025Updated last year