GitHub topics: vasp-files
Mikluki/kpoints_generator_mueller
This package is a wrapper around the k-point grid generator developed by the Mueller Group at Johns Hopkins University.
Language: Python - Size: 7.63 MB - Last synced at: 10 days ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0
Marcophy/VASP_tools
In this repository, you can find some tools designed to post-process the results of VASP simulations.
Language: Python - Size: 3.03 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
memgyuan-li/orbital-center-direction
Calculate determined track direction of s, p or d (include atoms without spin ) band centers from VASP DOSCAR files using python 3.Bug fixed of d-band-center.py ref 'https://github.com/hitarth64/d-band-center'
Language: Python - Size: 5.86 KB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 0 - Forks: 0
RexGalilae/vasp-tools
A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.
Language: Python - Size: 11.2 MB - Last synced at: about 2 months ago - Pushed at: 9 months ago - Stars: 9 - Forks: 3
QijingZheng/VaspBandUnfolding
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Language: Python - Size: 34.8 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 174 - Forks: 86
CTM-ITODYS/mol2surface
Fortran code that convert xyz-file to POSCAR file for VASP calculation
Language: Fortran - Size: 37.1 KB - Last synced at: almost 2 years ago - Pushed at: over 2 years ago - Stars: 1 - Forks: 0
michaelge233/Scripts-for-Chemistry
Scripts for data analysis and visualization in chemistry.
Language: Jupyter Notebook - Size: 602 KB - Last synced at: about 2 years ago - Pushed at: almost 3 years ago - Stars: 1 - Forks: 0
DannyVanpoucke/HIVE4-tools
Post-processing tool-set for ab-intio calculations using VASP.
Size: 574 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 3 - Forks: 1
nuwan-d/SiC_polyurea_interface
Contains LAMMPS and VASP models used to compute nonbonded interaction parameters in Dewapriya and Miller, Extreme Mechanics Letters, vol. 44, 101238 (2021).
Size: 739 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 3 - Forks: 0
FachengG/XYZ_to_POSCAR
Transfer XYZ file into POSCAR/CONTCAR file with re-center feature. Useful for single molecule calculation in VASP.
Language: Python - Size: 5.86 KB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 1
