software:polyxsim
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| software:polyxsim [2018/06/24 00:25] – smerkel | software:polyxsim [2019/02/18 11:11] (current) – external edit 127.0.0.1 | ||
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| ====== PolyXSim ====== | ====== PolyXSim ====== | ||
| - | PolyXSim allows you to simulate | + | PolyXSim allows you to simulate |
| - | The first step is to create an input file (ASCII-file with .inp ending) | + | |
| - | The format of the file should look like the following: | + | ===== Introduction ===== |
| - | {{: | + | From the original manual, PolyXSim is a program which simulates 3DXRD diffraction patterns of polycrystalline (multiphase) materials for the “far-field” case, as it is called in 3DXRD community, e.g. with the detector far away from the sample (i.e. at 400 mm for instance). For high pressure diamond anvil cell experiments, |
| - | ===== Detailed instructions ===== | + | The potential use include |
| + | * Training at handling multigrain crystallography data, | ||
| + | * Simulating 3DXRD diffraction patterns for debugging of indexing, overlap and integration routines | ||
| + | * Simulating patterns for a specific material to estimate the degree of spot overlap, and thereby feasibility, | ||
| - | You will find an extensive example of how to use PolyXSim | + | The new page for PolyXSim |
| - | ===== Running the simulation | + | The original manual is available at this page [[https:// |
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| + | The software is free but with a copyright to Henning Osholm Sørensen, Risø National Laboratory, DK-4000 Roskilde, Denmark | ||
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| + | ===== Getting started | ||
| + | |||
| + | The first step is to create an input file (ASCII-file with .inp ending) | ||
| + | |||
| + | The format of the file should look like the following: | ||
| + | |||
| + | {{: | ||
| For running the simulation, navigate to the folder where the input file is saved and type to the Konsole | For running the simulation, navigate to the folder where the input file is saved and type to the Konsole | ||
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| PolyXSim.py -i ' | PolyXSim.py -i ' | ||
| + | ===== Detailed instructions ===== | ||
| + | |||
| + | You will find an extensive example of how to use PolyXSim in this section: [[processing: | ||
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