A program that converts VASP POSCAR files to crystallographic information file format (CIF)
☆23Aug 23, 2013Updated 13 years ago
Alternatives and similar repositories for vasp2cif
Users that are interested in vasp2cif are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Converts (most) CIF files to VASP's POSCAR format☆23May 27, 2011Updated 15 years ago
- Run and manage EMTO-DFT calculations easily with this Python package☆13Jan 10, 2021Updated 5 years ago
- ☆16Sep 20, 2024Updated 2 years ago
- Accelerated molecular crystal structure determination from powder diffraction data☆14Jun 20, 2025Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Optimized Generative Adversarial Network with Graph Convolutional Networks for Novel Molecule Design☆13Jan 2, 2024Updated 2 years ago
- LAMMPS plugin for AiiDA☆28Oct 6, 2026Updated last week
- Scripts for building binary release bundle for Linux and Mac.☆11Feb 12, 2024Updated 2 years ago
- Jupyter Book source files for 2022 MSD summer research internship.☆14Jul 10, 2023Updated 3 years ago
- Source code for generating materials with 20 space groups using PGCGM☆33Dec 15, 2022Updated 3 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Simple Vector math library☆11Mar 18, 2017Updated 9 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Sep 11, 2022Updated 4 years ago
- A code to simulate linearized phonon transport☆15May 7, 2017Updated 9 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Some scripts and docs that may help in installing Oasys☆11Jan 9, 2024Updated 2 years ago
- Boğaziçi University Department of Economics - Repo For Term Pojects☆11Aug 9, 2019Updated 7 years ago
- Implementation of STN (Spatial Transformer Network) and ICSTN (Inverse Compositional Spatial Transformer Networks) in Tensorlayer to pred…☆15Dec 6, 2021Updated 4 years ago
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 11 months ago
- ☆12Feb 14, 2024Updated 2 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 3 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Documentation for the Juno IDE☆13Nov 6, 2021Updated 4 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆18Sep 24, 2026Updated 2 weeks ago
- 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.
- Programs for constructing Brillouin zones in three- and two-dimensional space.☆34Oct 3, 2026Updated last week
- ☆18Apr 14, 2025Updated last year
- Elegant C++ library for HDF5 files☆14Oct 6, 2016Updated 10 years ago
- Identification of the Dominant Recombination Process for Perovskite Solar Cells Based on Machine Learning☆16Oct 27, 2020Updated 5 years ago
- ☆11Apr 5, 2024Updated 2 years ago
- ☆12Jan 16, 2024Updated 2 years ago
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Mar 25, 2019Updated 7 years ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Feb 21, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- preparation guide for aws big data / data analytics – specialty exam☆17Nov 23, 2020Updated 5 years ago
- A conda-smithy repository for lammps.☆10Sep 21, 2026Updated 3 weeks ago
- zero-riscy CPU Core☆19Jun 10, 2018Updated 8 years ago
- A tool for creating and manipulating tight-binding models.☆42Mar 6, 2025Updated last year
- Python package for matrix storage and operations on hetnets☆14Mar 30, 2023Updated 3 years ago
- ☆13Oct 7, 2026Updated last week
- A Python package for manipulating atomistic data of software in computational science☆254Oct 5, 2026Updated last week