northword / wikiLinks
《能源环境材料计算模拟方法》学习笔记,包括linux基础命令、pbs作业管理系统、vasp、materials studio等。
☆24Updated last month
Alternatives and similar repositories for wiki
Users that are interested in wiki are comparing it to the libraries listed below
Sorting:
- Radial Distribution Function(rdf) 镜像分布函数计算☆15Updated 4 years ago
- ☆57Updated 8 months ago
- Tools to be used with the Atomic Simulation Environment (ASE). Currently, the main features are for VASP.☆12Updated 12 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Updated 2 years ago
- ☆74Updated last year
- quick analysis of vasp calculation☆36Updated last year
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- ☆24Updated last week
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆63Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- ☆22Updated 5 years ago
- some toolkits for VASP☆30Updated 4 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- Some scripting tools used for lammps input or output☆59Updated 2 months ago
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆13Updated 2 years ago
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆35Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 2 years ago
- ☆30Updated 5 years ago
- DFT post processing tools☆25Updated last year
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- scripts related to qe☆23Updated 3 years ago
- ☆39Updated last year
- MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics☆21Updated 2 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- POST code for second order elastic constant☆42Updated 5 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆39Updated 10 months ago