Alternatives and similar repositories for SFG-spectra-tool:

Users that are interested in SFG-spectra-tool are comparing it to the libraries listed below

• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆13Updated 2 years ago
• tilaskabengele / BiCrystal
  BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.
  ☆13Updated last year
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated 10 months ago
• atomisticnet / aenet-lammps
  Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov)
  ☆9Updated 2 months ago
• Iourarum / GOPY
  ☆27Updated 2 years ago
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆16Updated 8 months ago
• joeyelk / MD-Structure-Factor
  Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
  ☆17Updated 5 years ago
• BingqingCheng / MLP-highP-H
  ☆17Updated 4 years ago
• bussilab / crescale
  ☆12Updated 2 years ago
• simongravelle / pyplot-perso
  Personal functions for making Pyplot Python figures
  ☆16Updated 7 months ago
• JE1314 / LAMMPS_builder
  Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab
  ☆10Updated 2 weeks ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆21Updated last week
• velocirobbie / make-graphitics
  ☆43Updated 4 years ago
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated 3 weeks ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆24Updated 4 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated 3 months ago
• Chenghao-Wu / SMolSAT
  SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
  ☆13Updated 4 months ago
• itamblyn / scripts
  ☆18Updated 6 years ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆21Updated 3 weeks ago
• z-gong / mstk
  Molecular simulation toolkit
  ☆14Updated 3 weeks ago
• ajaymur91 / CLIPS
  Fast estimation of ion-pairing for screening electrolytes
  ☆11Updated 2 years ago
• palmergroup / hmcwithlammps
  ☆14Updated 6 years ago
• JunboLu / CP2K_kit
  ☆14Updated 2 years ago
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆18Updated 7 years ago
• JoshuaSBrown / QC_Tools
  This small repository provides functionality for calculating the charge transfer integrals between two molecules.
  ☆31Updated 2 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• ElenaKusevska / Molecular_symmetry
  Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).
  ☆13Updated 6 years ago
• NaveenKaliannan / EwaldSummation
  Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems
  ☆17Updated 7 years ago
• berquist / chargemol
  2017-09-26 Linux source.
  ☆13Updated 3 years ago
• PabloPiaggi / Crystallization-of-IceIh
  Input files and results of paper: Phase equilibrium of liquid water and hexagonal from ice enhanced sampling molecular dynamics simulatio…
  ☆10Updated 4 years ago