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README.md

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+# Dr. Probe command-line tools (drprobe_clt)
+
+
+## Authors and Copyright
+
+   Juri Barthel
+   Forschungszentrum Jülich GmbH, 52425 Jülich, Germany
+   Copyright (c) 2008 - 2018 - Forschungszentrum Jülich GmbH
+   Published under the GNU General Public License, version 3,
+   see <http://www.gnu.org/licenses/> and LICENSE!
+
+
+## CELSLC
+
+CELSLC is a program to calculate object transmission functions to be used
+as phase gratings in a multislice algorithm for electron diffraction
+calculations. The calculations require an atomic structure model as input,
+including the definition of a calculation box, atomic coordinates,
+thermal vibration parameters, and partial occupancy factors. Further
+parameters concern numerical sampling and the probing electron energy. The
+output produced can be used as input of the program MSA.
+
+
+## MSA
+
+MSA is a program to calculate the diffraction of beam of probing electrons
+through a crystal. The crystal data is input in form of phase gratings or
+projected scattering potentials as calculated by the program CELSLC. Further
+parameters concern the probe forming, sample thickness, scan settings etc.
+Output are electron wave functions or STEM images.
+
+
+## WAVIMG
+
+WAVIMG is a program used for the calculation of high-reslolution TEM images
+from an input electron wave function. 
+
+
+## Development
+
+The programs are written in Fortran 90 code for Intel Fortran compilers.
+
+### TODOs
+
+* publish on GitHub
+* keep up with new code from [JMultiSlice](https://github.com/ju-bar/JMultiSliceLib)
+  - investigate if partial C++ code can be used in this project
+* replace FFTPACK routines by fftwf routines in MSA and test for increased speed
+* add a wrapper tool for applying external transition potentials for EELS and EDX
+