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ianhbell/README.md

Hi there 👋

As of January 10, 2025 this account will not be actively maintained as no longer work at NIST. For support, please see my contact info on LinkedIn.

📫 How to reach me: LinkedIn

This landing page collects links to some things I worked on while at NIST between January 2015 and January 2025.

REFPROP things:

  • REFPROP-cmake (CMake build tools to simplify building of REFPROP on all operating systems)
  • REFPROP-wrappers (Interfaces of NIST REFPROP for a wide range of computational environments, especially Python and Excel)
  • REFPROP-tests (Catch2 tests for NIST REFPROP, also regresssion testing, both native and docker-ized )
  • REFPROP-interop (Routines for converting NIST REFPROP file formats to those of teqp/CoolProp)

Thermodynamic things:

  • COSMO-SAC (A reproducible implementation of the COSMO-SAC method)
  • teqp (A new EOS implementation library with automatic differentiation) cibuildwheel
  • teqpflsh (Routines for super reliable and fast iterative calculations with thermodynamic models based on teqp) cibuildwheel
  • temo (Model optimization with teqp)
  • binfit (Binary mixture interaction parameter fitting with deap)
  • potter (C++ and Python code for working with pair potentials and calculating virial coefficients) [see also https://www.etomica.org/apps/virial/]

Optimization-y things:

  • CEGO (C++ evolutionary optimization) cibuildwheel
  • NISTfit (framework for model optimization in C++) [~obsolete]

Math-y things:

  • multicomplex (multicomplex mathematics for very accurate derivatives) build and run Catch tests
  • ChebTools (tools for working with Chebyshev expansions in C++) Build

Pinned Loading

  1. usnistgov/REFPROP-wrappers usnistgov/REFPROP-wrappers Public

    Wrappers around NIST REFPROP for languages such as Python, MATLAB, etc.

    Wolfram Language 248 137

  2. usnistgov/teqp usnistgov/teqp Public

    A highly efficient, flexible, and accurate implementation of thermodynamic EOS powered by automatic differentiation

    C++ 81 23

  3. usnistgov/ChebTools usnistgov/ChebTools Public

    C++ tools for working with Chebyshev expansion interpolants

    C++ 32 9

  4. usnistgov/multicomplex usnistgov/multicomplex Public

    Multicomplex algebra

    C++ 11 5

  5. usnistgov/CEGO usnistgov/CEGO Public

    C++11 Evolutionary Global Optimization

    Jupyter Notebook 13 4

  6. usnistgov/REFPROP-issues usnistgov/REFPROP-issues Public

    A repository solely used for reporting issues with NIST REFPROP

    32 15