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A framework for propagating the time dependent Schrödinger equation (TDSE) written in Python/C++
nepstad/pyprop
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The Core folder contains the core c++ routines. Make will build a python extension module from these sources, and put the output in ./pyprop/Core/_Core.so. To build pyprop, be sure to read INSTALL, and install all prerequisites. Then, copy Makefile.platform.example to Makefile.platform cp Makefile.platform.example Makefile.platform This makefile can then be customized to suit your needs (set up optimization flags, support for other compilers/mpi-libraries, custom include paths etc.) when the makefile is to your liking, run make in the main directory, to build the extension module. The output library will be put in the folder ./pyprop/core/ where it will automatically be imported into python when you import pyprop ---------------------------------------------------------------------------- To use pyprop, put the root folder in your $PYTHONPATH, start python and run import pyprop prop = pyprop.LoadPropagator("config.ini") prop.SetupStep() if you have done changes to the python files in the stage folder, you can reload the pyprop module by typing "pyprop = reload(pyprop)" in your python interpreter.
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A framework for propagating the time dependent Schrödinger equation (TDSE) written in Python/C++
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