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Popular repositories Loading

  1. ACH-TOPAS-Lattice-Parameter-Tables ACH-TOPAS-Lattice-Parameter-Tables Public

    Automation Wizard for creating Tables of Lattice Parameters from Pawley Fits in TOPAS that can be opened in MS Word.

    HTML

  2. ACH-Pawley-Plotter ACH-Pawley-Plotter Public

    Plots results of TOPAS Pawley Fits automatically. Needs the correct output macros to function to find the relevant data.

    Python

  3. ACH-Run-Pawley-Wizard ACH-Run-Pawley-Wizard Public

    Simplifies the creation and execution of Structureless Pawley Refinements in TOPAS using an interactive wizard. Usage of .brml files as input is preferred.

    Python

  4. ACH-Pawley-Prefit ACH-Pawley-Prefit Public

    Interactive plot allowing to align simulated powder diffractograms from .cif files with experimental measurements for better convergence of structureless pawley fits in TOPAS.

    Python

  5. ACH-PXRD-Quickplot ACH-PXRD-Quickplot Public

    A simple plotter to quickly display PXRDs saved in various formats.

    Python

  6. ACH-Orca-Workbench ACH-Orca-Workbench Public

    A GUI app to run, manage and monitor QM-calculation in ORCA 6 using TKInter. Available both as a version for personal computers as well as a version for Clusters that utilize the SLURM scheduler fo…

    Python