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dft_automation_sample

simple example of automation of VASP calculation for molecules on surfaces

dft_on_docker

Docker上での第一原理計算

differential-geometry

several script for differential geometry using sympy

espresso-phrev

for revision of PH part in espresso

hdnnp

high dimensional neural network potential

hdnnp-tools

hdnnpy-phonopy-interface

interface scripts from hdnnpy prediction results to phonopy&phono3py calculation

hdnnpy-shengbte-interface

interface of hdnnpy for shengBTE

hdnnpy-update

hdnnpy repository with my minor update

inelastica

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

inelastica-local

copy of inelastica

jobautomation

job submit automation test

lammps

Public development project of the LAMMPS MD software package

layeredmaterialtoolkit

for automation of several kind of layered material calculation

lecture-minamitani

Repository for lecture@IMS

lecturenote3

Lecture note source code by rst for the lectures on condensed matter physics in UT Materials Engineering course (Japanese)

nrg-mpi

Fortran based mpi-version of numerical renormalization group

pebble-game-algorithm

pebble game algorithm

repo_solidstatephysicsb

script for solid state physics B lecture

sample_nnp

nnp sample

spring_school_2024

repository for sample used in 2024 spring school

supporttools

several supporting tools for Quantum-espresso and EPW calculation

thermal_conductivity_code

Allen-Feldman thermal conductivity compatible to GULP implementation

togl

Topological Graph Neural Networks (ICLR 2022)

vaspscript

tiny scripts for supporting VASP calculation

website

Website for IMS-Minamitani group. Fork from bulma-clean-theme