GitHub topics: vasp-poscar
Trebonius91/utils4VASP
Utility scripts and programs for VASP calculations
Language: Fortran - Size: 375 KB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 9 - Forks: 3
Ramprasad-Group/PSP
PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
Language: Jupyter Notebook - Size: 5.34 MB - Last synced at: about 1 month ago - Pushed at: 10 months ago - Stars: 34 - Forks: 13
manassharma07/VASP-GUI
A web app to help create POSCAR and INCAR files for VASP
Language: Python - Size: 212 KB - Last synced at: 5 months ago - Pushed at: 5 months ago - Stars: 5 - Forks: 1
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
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: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 1
kirkster96/atomic-nearest-neighbors
This repository is for a simple C++ console application that can read POSCAR files and print atomic distances between one atom and a selection of other atoms.
Language: C++ - Size: 693 KB - Last synced at: about 2 years ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 0
allenerocha/PWSCFOutputToPOSCAR
Python script (command line executable) to take Quantum ESPRESSO pw.x vc-relax output (example: Si.Fd-3m.vc-relax.out) and generate VASP POSCAR file named [element].[symmetry group].POSCAR.VASP in file format below, converting vc-relax output alat from Bohr to Angstrom (multiply by 0.529177)
Language: Python - Size: 214 KB - Last synced at: about 2 years ago - Pushed at: over 5 years ago - Stars: 1 - Forks: 2
