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80 results found

analphipy: A python package to analyze pair-potential metrics.

Data provided by  National Institute of Standards and Technology

`analphipy` is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation. Several routines to calculate metrics are included in the package. The main features of `analphipy` are 1) Pre-defined spherically symmetric potentials. 2) Simple interface to extended to user defined pair potentials. 3) Routines to calculate Noro-Frenkel effective parameters. 4) Routines to calculate Jensen-Shannon divergence.

Tags: python,statistical mechanics,

Modified: 2024-02-22

Views: 0

CyRSoXS: A GPU-accelerated virtual instrument for Polarized Resonant Soft X-ray Scattering (P-RSoXS)

Data provided by  National Institute of Standards and Technology

Polarized Resonant Soft X-ray scattering (P-RSoXS) has emerged as a powerful synchrotron-based tool to measure structure in complex, chemically heterogeneous systems. P-RSoXS combines principles of X-ray scattering and X-ray spectroscopy; this combination provides unique sensitivity to molecular orientation and chemical heterogeneity in soft materials such as polymers and biomaterials.

Tags: polymer,python,C++,CUDA,polymer nanocomposite,polymer solution,X-ray scattering,software,tool,computation,

Modified: 2024-02-22

Views: 0

tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.

Data provided by  National Institute of Standards and Technology

A python package to analyze ``lnPi`` data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, ``lnPi``, provides a means to calculate a host of thermodynamicproperties. Moreover, if ``lnPi`` is calculated at a specific chemical potential, it can be reweighted to providethermodynamic information at a different chemical potential. The python package``tmmc-lnpy`` provides a wide array of routines to analyze ``lnPi`` data.

Tags: python,molecular simulation,data analysis,Transition Matrix Monte Carlo,statistical mechanics,

Modified: 2024-02-22

Views: 0

FCpy: Feldman-Cousins Confidence Interval Calculator

Data provided by  National Institute of Standards and Technology

Python scripts and Python+Qt graphical user interface for calculating Feldman-Cousins confidence intervals for low-count Poisson processes in the presence of a known background and for Gaussian processes with a physical lower limit of 0.

Tags: python,SIMS,statistics,mass spectrometry,Confidence Interval,CI,Feldman,Cousins,Poisson,Gaussian,

Modified: 2024-02-22

Views: 0

Thermal Conductivity of Binary Mixtures of 1,1,1,2-Tetrafluoroethane(R-134a), 2,3,3,3-Tetrafluoropropene (R-1234yf), and trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

Data provided by  National Institute of Standards and Technology

Workflow: The data that falls into this category are gathered from a measurement program and are published in the archival literature.

Tags: Advanced Materials,Energy,Environment and Climate,Physical Infrastructure,Safety,Security and Forensics,

Modified: 2024-02-22

Views: 0

Entropy Source Validation Client

Data provided by  National Institute of Standards and Technology

This tool is a Python client that can interact with the NIST Entropy Source Validation Test System.

Tags: python,Entropy Source Validation Test System,NIST,CMVP,ESV Client,

Modified: 2024-02-22

Views: 0

Supplemental Data and Source Code for ILSA Research

Data provided by  National Institute of Standards and Technology

Source code associated with the Inverted Library Search Algorithm (ILSA) for identifying mixture components using is-CID mass spectra. This source code is frozen to accompany the manuscript titled "Updates to the Inverted Library Search Algorithm for mixture analysis" by Moorthy et. al.

Tags: mass spectrometry,Mixture Analysis,Search Algorithms,seized drug analysis,

Modified: 2024-02-22

Views: 0

Python tools for measuring filament defects in embedded 3D printing

Data provided by  National Institute of Standards and Technology

In embedded 3D printing, a nozzle is embedded into a support bath and extrudes filaments or droplets into the bath. This repository includes Python code for analyzing and managing images and videos of the printing process during extrusion of single filaments. The zip file contains the state of the code when the associated paper was submitted. The link to the GitHub page goes to version 1.0.0, which is the same as the code attached here. From there, you can also access the current state of the code.Associated with: L. Friedrich, R. Gunther, J.

Tags: python,digital image analysis,computer vision,3D printing,additive manufacturing,openCV,

Modified: 2024-02-22

Views: 0

Simantha: Simulation for Manufacturing

Data provided by  National Institute of Standards and Technology

Simantha is a discrete event simulation package written in Python that is designed to model the behavior of discrete manufacturing systems. Specifically, it focuses on asynchronous production lines with finite buffers. It also provides functionality for modeling the degradation and maintenance of machines in these systems. Classes for five basic manufacturing objects are included: source, machine, buffer, sink, and maintainer. These objects can be defined by the user and configured in different ways to model various real-world manufacturing systems.

Tags: discrete-event simulation,manufacturing,production,maintenance,python,

Modified: 2024-02-22

Views: 0

Speed of Sound Measurements of Binary Mixtures of Difluoromethane (R-32) with 2,3,3,3-Tetrafluoropropene (R-1234yf) or trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

Data provided by  National Institute of Standards and Technology

Speed of Sound Measurements of Binary Mixtures of Difluoromethane (R-32) with 2,3,3,3-Tetrafluoropropene (R-1234yf) or trans-1,3,3,3-Tetrafluoropropene (R-1234ze(E)) Refrigerants

Tags: Advanced Materials,Energy,Environment and Climate,Physical Infrastructure,Safety,Security and Forensics,

Modified: 2024-02-22

Views: 0