bitsoal / VASP_HTC_frameworkLinks
High-throughput calculation framework for VASP
☆25Updated 2 months ago
Alternatives and similar repositories for VASP_HTC_framework
Users that are interested in VASP_HTC_framework are comparing it to the libraries listed below
Sorting:
- ab-initio nonadiabatic molecular dynamics program☆115Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- ☆29Updated 3 years ago
- ☆57Updated 3 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆68Updated 6 months ago
- VASPKIT_manual markdown source!☆80Updated 6 years ago
- ☆44Updated 7 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆94Updated last week
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆57Updated 6 years ago
- A VASP calculation monitor. Written in Rust☆30Updated 10 months ago
- Phonon anharmonicity analysis from molecular dynamics☆133Updated last month
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated last week
- 新生入学培训资料☆18Updated 3 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆70Updated 2 weeks ago
- Fix lattice component(s) during relaxation in VASP☆125Updated 3 years ago
- ☆55Updated last year
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆16Updated 3 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆173Updated 2 months ago
- ☆124Updated 6 years ago
- A python interface of NEP☆63Updated last week
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- A lite tool for monitoring convergence in VASP relaxation☆17Updated last year
- A code for generating irreducible site-occupancy configurations☆50Updated last year
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- ASE interface for fully constant potential with VASP☆37Updated last year
- Inverse Design of Materials by Multi-objective Differential Evolution☆50Updated 6 years ago