hitliaomq / ElasticPOSTLinks
POST code for second order elastic constant
☆42Updated 5 years ago
Alternatives and similar repositories for ElasticPOST
Users that are interested in ElasticPOST are comparing it to the libraries listed below
Sorting:
- Some scripting tools used for lammps input or output☆59Updated 3 months ago
- A grain boundary generation code☆73Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Ferroelectric/Ferroelastic domain wall builder☆20Updated 10 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Updated 9 years ago
- VASPKIT_manual markdown source!☆79Updated 6 years ago
- generator of simple atomistic models☆28Updated 6 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- ☆57Updated 8 months ago
- A toolkit for automatic calculation and analysis of elastic constants☆52Updated last year
- some toolkits for VASP☆30Updated 4 years ago
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆29Updated last month
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆33Updated 5 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆27Updated 5 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- LAMMPS code for stacking fault energy calculation☆11Updated 4 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 8 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago
- 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…☆55Updated 6 years ago
- Fix lattice component(s) during relaxation in VASP☆123Updated 3 years ago
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取,任务文件管理的工具☆76Updated 4 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- ☆30Updated 5 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆13Updated 2 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆38Updated last week