tamaswells / XDATCAR_toolkitLinks
XDATCAR_toolkit- A tool for convert XDATCAR to PDB
☆62Updated 6 years ago
Alternatives and similar repositories for XDATCAR_toolkit
Users that are interested in XDATCAR_toolkit are comparing it to the libraries listed below
Sorting:
- ☆73Updated 8 months ago
- ASE interface for fully constant potential with VASP☆40Updated last year
- Fix lattice component(s) during relaxation in VASP☆130Updated 3 weeks ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- ☆45Updated 7 years ago
- LAMMPS interface for phonon calculations using phonopy☆91Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆60Updated last year
- ☆61Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆48Updated last week
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆72Updated last month
- A python interface of NEP☆67Updated last month
- 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
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- ☆30Updated 3 years ago
- 新生入学培训资料☆18Updated 3 years ago
- Some scripting tools used for lammps input or output☆62Updated 7 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated 2 weeks ago
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- A code for generating irreducible site-occupancy configurations☆52Updated 2 years ago
- ☆127Updated 6 years ago
- A grain boundary generation code☆79Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last month
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Updated last year
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆64Updated last month
- Tutorials related to GPUMD☆73Updated last week
- Visualize vibrational modes from VASP calculations☆45Updated 11 months ago
- VASPKIT_manual markdown source!☆81Updated 6 years ago
- Defect structure-searching employing chemically-guided bond distortions☆111Updated this week