lingtikong

ACFbyFFT

ACF by FFT.

artn

Automatically exported from code.google.com/p/artn

dump2phonon

Automatically exported from code.google.com/p/dump2phonon

dumpana

Automatically exported from code.google.com/p/dumpana

fix-phonon

Automatically exported from code.google.com/p/fix-phonon

latgen

Code to generate crystalline lattice with different orientations.

phana

posconv

Automatically exported from code.google.com/p/posconv

strfac

Automatically exported from code.google.com/p/strfac

VACF_PDOS

lingtikong/phana

lingtikong/latgen

Code to generate crystalline lattice with different orientations.

lingtikong/fix-phonon

Automatically exported from code.google.com/p/fix-phonon

lingtikong/dump2phonon

Automatically exported from code.google.com/p/dump2phonon

lingtikong/VACF_PDOS

lingtikong/dumpana

Automatically exported from code.google.com/p/dumpana

lingtikong/strfac

Automatically exported from code.google.com/p/strfac

lingtikong/posconv

Automatically exported from code.google.com/p/posconv

lingtikong/ACFbyFFT

ACF by FFT.

lingtikong/artn

Automatically exported from code.google.com/p/artn

lingtikong/atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

lingtikong/CrysInfo

crystalographic info

lingtikong/custodian

A simple, robust and flexible just-in-time job management framework in Python.

lingtikong/deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

lingtikong/diag-orient

Stuff that I used to diagnose something.

lingtikong/ECVASP

Script generation for elastic constants calculations

lingtikong/fix-gfmd

Automatically exported from code.google.com/p/fix-gfmd

lingtikong/hist

Automatically exported from code.google.com/p/hist

lingtikong/LOP

LOP

lingtikong/mc2lmp

lingtikong/monty

This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.

lingtikong/Onsager

Onsager coefficients for interstitial and vacancy-mediated diffusion

lingtikong/pheam

Automatically exported from code.google.com/p/pheam

lingtikong/potfit

potfit force-matching code

lingtikong/pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

lingtikong/sjtumgi

lingtikong/user-mc

Automatically exported from code.google.com/p/user-mc