Crystallographic Fortran 95 Modules Library
mirror of repository: https://forge.ill.eu/svn/crysfml
CFML XML interface
Search for distances between two atom types in a number of CIF files and output distance tables.
UI for data logging and controlling of furnace controllers via serial interfaces
Powder Diffraction GUI
Rewrite using GTK+ via gtk-fortran
Powder Diffraction GUI
Old version using JAPI
The gtk-fortran project aims to offer scientists programming in Fortran a cross-platform library to build Graphical User Interfaces (GUI), licensed under GNU GPL 3. Gtk-fortran is a partial GTK / Fortran binding 100% written in Fortran, thanks to the ISO_C_BINDING module for interoperability between C and Fortran, which is a part of the Fortran 2003 standard. It offers interfaces to around 10000 GTK 2 and GTK 3 functions (GTK, GDK, GdkPixbuf, Cairo, Pango, ATK, GLib, GObject, GIO). Although mainly developed under Linux, you can easily use it under Windows via MSYS2. It runs also under UNIX systems like BSD, macOS and Raspbian on the Raspberry Pi....
- MagTopoAims to extract some kind of "magnetic substructures" in a number of CIF files.
- collect magnetic atoms/ions and possible bridging atoms/ions for superexchange interactions
- guess strength of exchange interactions based on bond valence calculations (todo) and empirical rules for superexchange...
Simulation Assisted Determination of Adsorbate Structures
Calculation of Substitution Variants in disordered Crystal Structures
Simultaneous Rietveld Refinement with Multiple Powder Data Sets
U. Amann, H. Ritter, J. Ihringer, J.K. Maichle and W. Prandl
Institut für Kristallographie der Universität Tübingen
Charlottenstraße 33, D-72070 Tübingen
Tel: +49(0)7071 / 2975242
Solid State Chemistry Sample DataBase
- MySQL database for managing samples and property measurements
- PHP web front-end
Theoretical Chemistry Tools
- Collection of tools for computational chemistry
- Data conversion
- Data evaluation
- TCTools-LMTOTools for the STUTTGART TB-LMTO program
- currently support version 47
- lmtob.sh: run LMTO in batch mode
- cif2lmtoi: convert CIF to LMTO INIT file
- lmto2boltz: preparation of BoltzTrap input files from LMTO output files...
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