fangjzh / rocky-river-hpcLinks
bash scripts for buiding and managing hpc based on open hpc.
☆17Updated 6 months ago
Alternatives and similar repositories for rocky-river-hpc
Users that are interested in rocky-river-hpc are comparing it to the libraries listed below
Sorting:
- Some scripting tools used for lammps input or output☆59Updated 2 months ago
- SPaMD (Scalable Parallel Materials/Molecular Design/Dynamics Studio) is an integrated software platform developed by the research group o…☆27Updated 2 months ago
- POST code for second order elastic constant☆42Updated 5 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- potfit force-matching code☆40Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- A python interface of NEP☆56Updated 7 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆26Updated 5 years ago
- NepTrainKit is a Python package for visualizing and manipulating training datasets for NEP.☆67Updated this week
- ☆39Updated last year
- Tutorials on atomic simulations related to my research☆28Updated 3 years ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- A grain boundary generation code☆69Updated last year
- 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
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆37Updated last month
- Python Cp2k interface☆95Updated 3 years ago
- ☆36Updated 5 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Fix lattice component(s) during relaxation in VASP☆122Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 8 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 10 months ago
- A collection of scripts to interpret/organize VASP output files☆24Updated 8 years ago
- GUI4dft - first free SIESTA oriented GUI☆25Updated last month
- 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.☆27Updated last week
- Ab initio tight binding simuation package☆28Updated 2 weeks ago
- quick analysis of vasp calculation☆36Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 7 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 2 months ago