|
|
None |
2 |
Plot phonon band structure and fix the ordering problem in Phonopy |
May 09, 2021 |
|
|
None |
3 |
Perform Phonopy calculations using all of the calculators available in ASE. |
May 12, 2023 |
|
|
Python |
7 |
Harmonic phonon transmission calculations from molecular dynamics trajectories |
Nov 15, 2022 |
|
|
Python |
2 |
Collection of workflows for running electronic and phonon structure calculations |
Nov 20, 2020 |
|
|
Python |
14 |
Python codes to calculate phonon spectral energy density from LAMMPS velocity data. |
May 25, 2023 |
|
|
Python |
16 |
Parallel Lammps Python interface |
Jul 23, 2022 |
|
|
Python |
5 |
A simple wrapper of the phonopy irreps module for finding irreduciple representations of the phonon … |
May 01, 2023 |
|
|
Shell |
2 |
Scripts for Phonopy/Phono3py |
Apr 06, 2022 |
|
|
Python |
14 |
Phonon for AiiDA |
May 09, 2023 |
|
|
Jupyter Notebook |
34 |
A collection of structures, force constants and phonon data obtained from first-principles calculations |
May 07, 2023 |
|
|
Python |
2 |
Python code to calculate the lattice expansion of any (noncubic) crystal, based on phonon calculations. |
Jul 28, 2020 |
|
|
C++ |
4 |
ML interatomic potentials developed with MiLaDy package and Lammps module to perform calculations with them |
Jun 08, 2022 |
|
|
Python |
5 |
Lammps wrapper with cython interface. High performance, MPI, and interactive. |
Mar 22, 2021 |
|
|
Jupyter Notebook |
7 |
Interface aenet with the LAMMPS molecular dynamics software (https://lammps.sandia.gov) |
Feb 27, 2023 |
|
|
Python |
2 |
LAMMPS Lexer for Pygments |
Feb 25, 2023 |
|
|
Emacs Lisp |
2 |
Major mode for lammps. |
Oct 15, 2022 |
|
|
Python |
2 |
Sample file for LAMMPS |
Oct 23, 2022 |
|
|
Jupyter Notebook |
206 |
LAMMPS tutorials for Beginners |
May 04, 2023 |
|
|
Python |
15 |
LAMMPS plugin for AiiDA |
Jan 11, 2023 |
|
|
C++ |
3 |
Interface between QUIP (http://www.libatoms.org) and LAMMPS (http://lammps.sandia.gov/) MD codes |
Dec 17, 2021 |
|
|
Python |
10 |
Python program for analyzing the output files of phonopy. |
May 10, 2023 |
|
|
Python |
5 |
Calculate thermodynamic properties of matter using phonon gas model (PGM) |
Apr 07, 2023 |
|
|
C++ |
11 |
USER-MESO package for LAMMPS |
Oct 19, 2022 |
|
|
Python |
4 |
Data analysis tool for LAMMPS |
Nov 28, 2022 |
|
|
C++ |
5 |
GStreamer backend for the Phonon multimedia library |
Jun 20, 2022 |
|
|
C++ |
8 |
VLC backend for the Phonon multimedia library |
Jun 15, 2022 |
|
|
C++ |
5 |
An efficient deterministic solver for phonon BTE |
Jun 20, 2023 |
|
|
Python |
2 |
Tools for the visualization of phonon results |
May 22, 2023 |
|
|
Tcl |
7 |
A basic Lammps tutorial using aristotle.rc.ucl.ac.uk and desktop@anywhere (for visualisation) |
Dec 29, 2023 |
|
|
JavaScript |
23 |
Real time molecular dynamics in the browser using LAMMPS |
Apr 28, 2023 |
|
|
Python |
4 |
Library for accurate statistical calculations using Python. |
Apr 10, 2023 |
|
|
Ruby |
469 |
Time calculations using business hours. |
Jul 20, 2022 |
|
|
C++ |
4 |
LAMMPS for low Re number flows |
Sep 03, 2020 |
|
|
Python |
4 |
Python package for launching LAMMPS simulations |
Mar 30, 2022 |
|
|
Shell |
4 |
A conda-smithy repository for lammps. |
Aug 09, 2022 |
|
|
None |
9 |
LAMMPS snippets for Sublime Text 3 |
Jun 15, 2021 |
|
|
None |
2 |
Language support for LAMMPS in Atom |
Sep 10, 2021 |
|
|
C++ |
24 |
updated constant potential plugin for LAMMPS |
Apr 12, 2023 |
|
|
Python |
5 |
Bottom-up topology maker for LAMMPS |
Jun 19, 2022 |
|
|
Python |
3 |
CPL library Application code for LAMMPS |
Jun 07, 2022 |
|
|
HTML |
2 |
A MPlayer backend for the Phonon multimedia library. |
Apr 02, 2017 |
|
|
Objective-C++ |
2 |
A QuickTime backend for the Phonon multimedia library. |
Jul 30, 2020 |
|
|
C++ |
3 |
A WaveOut backend for the Phonon multimedia library. |
Dec 25, 2023 |
|
|
C++ |
3 |
A Xine backend for the Phonon multimedia library. |
Dec 25, 2023 |
|
|
Go |
23 |
Calculations for theoretical option pricing, using Go (golang) |
Jan 25, 2023 |
|
|
Python |
21 |
A Python library and command line interface for automated free energy calculations |
Aug 12, 2022 |
|
|
Python |
81 |
An open source Python framework for transition interface and path sampling calculations. |
Jul 17, 2022 |
|
|
None |
2 |
PVT flash calculations using successive substitution |
Oct 25, 2023 |
|
|
Python |
2 |
Some useful tools for working with LAMMPs. |
Apr 24, 2023 |
|
|
Jupyter Notebook |
2 |
Generate PEG topology for GROMACS and LAMMPS |
Aug 09, 2022 |