jasper12138

jasper12138's Stars

• jasper12138/cij

  Semiemperical quasiharmonic thermal elasticity

  1

• yuantuo666/baiduwp-php

  A tool to get the download link of the Baidu netdisk / 一个获取百度网盘分享链接下载地址的工具

  Language:HTML6.5k1.4k

• sissaschool/sportran

  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermocepstrum"]

  Language:Python4115

• conodipaola/kg4vasp

  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP

  Language:Fortran2214

• zidan0x266/nMOLDYN3

  Analysis of Molecular Dynamics trajectories

  1

• zidan0x266/ACFCalculator

  This code is used to calculate autocorrelations functions of time series calculated using molecular simulation codes like NAMD.

  Language:C++1

• khinsen/nMOLDYN3

  Analysis of Molecular Dynamics trajectories

  Language:HTML88

• jmcdaniel43/Structure_factor_FFT

  This code computes structure factors using the PME approach. Either the electron density structure factor can be computed for X-ray scattering (uses form factors), or the total charge density can be computed (uses input force field charges) to evaluate sum rules

  Language:Fortran65

• duwaben/MD_toolkit

  postprocessing programs for MD conducted with VASP

  Language:C++32

• DavidCdeB/PDOS_and_freqs

  Language:Python1