petrosim 0.0.4

A collection of petrological simulation tools.

PetroSim

PetroSim is a collection of petrological simulation tools.

Installation

PetroSim can be installed from the source or with pip as follows:

pip install petrosim

EC-AFC

The EC-AFC¹ model is a tool for simulating the evolution of the geochemical composition of a magma body as it intrudes into country rock, assimilating wallrock into the melt and fractionally crystallizing out cumulates.

EC-RAFC

The EC-RAFC² model is a tool for simulating the evolution of the geochemical composition of a magma body as it and subsequent recharges intrude into country rock, assimilating wallrock into the melt and fractionally crystallizing out cumulates.

Usage

An EC-AFC simulation is run with the standalone driver script using the command below, taking the initial parameters via a YAML formatted input.in file and outputting the results in the output.csv CSV file:

python3 -m petrosim.models.ecafc.driver input.in output.csv

Likewise, an EC-RAFC simulation can be run by replacing petrosim.models.ecafc.driver with petrosim.models.ecrafc.driver in the command above.

Example input files are located at petrosim/models/<model_type>/example.in. This file may be generated at any location by running the utility script from the desired location in the following manner by specifyting the model type (either "ecafc" or "ecrafc"):

python3 -m petrosim.utils.generate_example_input <model_type>

Running the simulation is by default silent and only outputs the CSV file, but this may be changed to also print to screen the first and last N lines of the results by adding the -print <N> flag in the command.

Basic visualization of the simulation results may be achieved with the included plotter, where one passes the resulting CSV file, the x-axis column name and the y-axis column name. An example of how to use the plotter on the resulting CSV file is below.

python3 -m petrosim.results.plotter output.csv -x Tm -y "Sr Cm"

This will both show a figure on screen and write a PNG file named Tm-Sr_Cm.png. To turn off saving to file, pass the -nosave flag, and to turn off showing the figure on screen, pass the -noshow flag in the command.

References

1. Spera, F. J.; Bohrson, W. A. Energy-Constrained Open-System Magmatic Processes I. General Model and Energy-Constrained Assimilation and Fractional Crystallization (EC-AFC) Formulation J. Petrol., 2001, 42, 999-1018, DOI: 10.1093/petrology/42.5.999
2. Spera, F. J.; Bohrson, W. A. Energy-Constrained Open-System Magmatic Processes 3. Energy-Constrained Recharge, Assimilation and Fractional Crystallization (EC-RAFC) Geochem. Geophys. Geosyst., 2002, 3, 8001, DOI: 10.1029/2007GC001781