JazzForLammps

Brought to you by: murraydaw, obiwang2008, yanggao723

Downloads: 2 This Week

Last Update: 2014-10-24

Get an email when there's a new version of JazzForLammps

Jazz, a scientific research tool, is a new python wrapper for LAMMPS implemented to calculate the lifetimes of vibrational normal modes based on forces as calculated for any interatomic potential available in the package. The anharmonic character of the normal modes is calculated via the Monte Carlo-based moments approximation as is described in Yang Gao and Murray Daw, Modeling and Simulation in Materials Science and Engineering (2014). It is distributed as open-source software.

Project Activity

See All Activity >

Follow JazzForLammps

JazzForLammps Web Site

Other Useful Business Software

$300 Free Credits to Build on Google Cloud Icon

$300 Free Credits to Build on Google Cloud

New customers can spin up VMs, build with AI, and query data at no cost.

Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.

Start Free

Rate This Project

Login To Rate This Project

User Reviews

Be the first to post a review of JazzForLammps!

Additional Project Details

Registered

2014-08-21

Report inappropriate content

$300 Free Credits to Build on Google Cloud

New customers can spin up VMs, build with AI, and query data at no cost.

Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.

Start Free

Recommended Projects

RooFit toolkit for data modelling
The RooFit package provides a toolkit for modeling the expected numerical distributions of the results of a scientific experiment. Models created with RooFit can be used for fitting, visualization, and Monte Carlo studies.
PyVCI
Vibrational configuration interaction code for simulating IR spectra
VPT2-screened PyVCI
The VPT2-screened PyVCI program package is a general purpose open-source code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis, vibrational perturbation theory and vibrational configuration interaction (VCI) algorithms, with VCI matrix elements chosen iteratively according to VPT2 energy contributions, across a range of significance thresholds. It is implemented primarily in Python for accessibility but with time-consuming routines written in C (produced using Cython). Force fields for use with this program package may be obtained from the extensible PyPES library of high quality analytical potential energy surfaces (http://sourceforge.net/projects/pypes-lib-ext).
PseAAC-Builder
Description: PseAAC-Builder is a cross-platform stand-alone program for generating protein pseudo-amino acid compositions. This is a bioinformatics program. It performs faster than the existing PseAAC server. Reference: [1] Pufeng Du, Shuwang Gu, Yasen Jiao. PseAAC-General: Fast Building Various Modes of General Form of Chou’s Pseudo-Amino Acid Composition for Large-Scale Protein Datasets. International Journal of Molecular Sciences 15 (2014) pp.3495-3506 [2] Pufeng Du, Xin Wang, Chao Xu, Yang Gao. PseAAC-Builder: A cross-platform stand-alone program for generating various special Chou's pseudo-amino acid compositions. Analytical Biochemistry 425 (2012) pp.117-119
illuminate
An extensible photorealistic renderer based on Monte Carlo pathtracing and other advanced rendering techniques.