Metadata-Version: 2.1
Name: simcem
Version: 0.0.2
Summary: SimCem, the thermodynamics/process engineering package
Home-page: http://simcem.com
Author: Marcus Bannerman
Author-email: m.bannerman@gmail.com
License: UNKNOWN
Description: # SimCem thermodynamic and process simulation package
        
        This package uses the [stator Comptational Algebra System
        (CAS)](https://github.com/toastedcrumpets/stator) to treat
        thermodynamics in an equation-oriented way. This is important in
        **applied** thermodynamics as often additional constraints such as
        heat transfer, kinetics, or multi-stage processes need to be
        included.
        
        You may be familiar with Gibb's free energy minimisation, but this on
        its own can only consider a single temperature and pressure. Other
        constraints need the minimisation of other free energies, for example
        including heat loss/gain needs the maximisation of the system entropy.
        
        Using an equation-oriented approach reduces the required iterations to
        solve these problems and can lead to better optimisation as the whole
        problem is exposed to the optimiser; however, it makes the setting up
        of such problems significantly more complex. The idea of SimCem is to
        hide as much of this complexity as possible.
        
        Ultimately the thermodynamic problems are reduced to a constrained
        minimisation problem which is solved with the
        [IPOPT](https://coin-or.github.io/Ipopt) library. Using a CAS allows
        these problems to be easily exported into other systems, such as
        Matlab/Mathematica, for verification.
        
        # Setup
        
        This library is developed on Linux, but should compile on Windows
        (which is still being developed). You will need to install git, Python
        3, IPOPT, CMake, and sundials yourself. You can then clone the
        repository and its other dependencies (Eigen, sundials, pybind11) like
        so:
        
        ```
        git clone --recurse-submodules http://github.com/toastedcrumpets/SimCem
        ```
        
        ## Current windows issues
        
        The real challenge on windows is getting all the
        dependencies. Sundials and IPOPT are the two blockers preventing this
        at this time. Once the code is released, CI services such as
        Travis/Appveyor will be used to build packages for windows to save
        everybody this effort.
        
        # Building
        
        To build the package, run
        
        ```
        ./setup.py build
        ```
        
        # Installation
        
        To install the package, run
        
        ```
        ./setup.py install
        ```
        
        # Usage/Database
        
        You will need a thermodynamic database to use SimCem. A free one
        containing data from NASA is available on request from
        m.campbellbannerman@abdn.ac.uk. This will be released for free in a
        separate repository shortly.
Platform: UNKNOWN
Classifier: Programming Language :: C++
Classifier: License :: OSI Approved :: BSD License
Classifier: Operating System :: OS Independent
Description-Content-Type: text/markdown
