~nickpapior/siesta/documentation : changes

~nickpapior/siesta/documentation » Changes from revision 560

From Revision 560 to 541

Rev	Summary	Authors	Date
560	Updated documentation of the diag part. Updated documentation of the diag part. More flags are converted into the new fdfentry method. Fixed references for the transiesta electrode setup and the mixing variables. One should use the fdfindex* variant for sub-options in blocks.	Nick Papior	7 years ago
559	Fixed a few remaining things of the documentation Fixed a few remaining things of the documentation Added documentation at the top of the siesta.tex file. There a short explanation of the simple mechanisms for writing new documentation is created. Added nag package which will complain about certain use of ancient commands.	Nick Papior	7 years ago
558	Updated date for the documentation Updated date for the documentation	Nick Papior	7 years ago
557	Added PEXSI reference, changed PEXSI documentation to new st... Added PEXSI reference, changed PEXSI documentation to new style Fixed minor things in the fdf setup for the manual in TeX.	Nick Papior	7 years ago
556	Updated release.sh, updated NOTES, added Ramon as contributo... Updated release.sh, updated NOTES, added Ramon as contributor	Nick Papior	7 years ago
555	Added tags and updated release.sh Added tags and updated release.sh Also moved branch-changes into NOTES.documentation	Nick Papior	7 years ago
554	Merged trunk-540 Merged trunk-540	Nick Papior	7 years ago
553	Added Docs/release.sh script for easy creation of tar.gz Added Docs/release.sh script for easy creation of tar.gz This script enables easier release tar.gz files with a consistent format. The main functionality is that it will create a folder: siesta-releases in the main folder where it will create a branch at the specified tag. It will subsequently build the documentation and create any necessary changes to the code that is necessary before making the code available publicly. This script is provided by Nick R. Papior	Nick Papior	7 years ago
552	Updated documentation for change of list in fdf Updated documentation for change of list in fdf Added documentation of PEXSI Added documentation of Accuracy control and principal cell connections.	Nick Papior	7 years ago
551	Merged trunk Merged trunk Added documentation for fdict and ncdf	Nick Papior	7 years ago
550	Added documentation of external libraries Added documentation of external libraries Documented BLAS/LAPACK/ScaLAPACK/MPI/OpenMP/NetCDF4 in the manual. Also added documentation of how to compile and run siesta using OpenMP. The NetCDF4 documentation is now also in place.	Nick Papior	7 years ago
549	Added documentation of charge/hartree gate Added documentation of charge/hartree gate - The Charge/Hartree gate is now documented. - Added an \ifdeprecated which may be used to keep old flags in the manual. - The old mixing options are now deprecated and partially removed (may be re-instantiated by setting \deprecatedtrue in the heading) However, the options are not used.	Nick Papior	7 years ago
548	Added projection documentation for tbtrans Added projection documentation for tbtrans	Nick Papior	7 years ago
547	Enabled size compilation of manual, as well as screen Enabled size compilation of manual, as well as screen - Updated the makefile for the documentation. Now it can build the manual in different formats: make SIZE=10\|11\|12 will control the font-size of the manual. - One can also compile the manual in a screen, two-column format which may be easier to read on a big screen. make all will create all different documentations: siesta.pdf, siesta-screen.pdf tbtrans.pdf, tbtrans-screen.pdf	Nick Papior	7 years ago
546	Merged trunk-530 Merged trunk-530	Nick Papior	7 years ago
545	Added tbtrans documentation Added tbtrans documentation - The tbtrans documentation is nearly complete. Currently I think I only need to document the projection stuff. - The tbtrans manual is a separate document. This is because I hope it will encourage the use of tbtrans as a separate program. - Added preliminary placeholder for transiesta article. - Updated keywords for electrodes to be more generic. Now TSHS == HS and Rep.A1 is not used anymore. TSDE == DE - Cleaned the molecular mechanics module.	Nick Papior	7 years ago
544	Finalized transiesta documentation Finalized transiesta documentation - All tbtrans documentation has been removed. This will be present in a separate manual. - Changed the default Poisson position to be the cell.	Nick Papior	7 years ago
543	Fixed mixing with restarts of zero Fixed mixing with restarts of zero	Nick Papior	7 years ago
542	Fixed mixing for GR such that it may be used again Fixed mixing for GR such that it may be used again - Re-enabled GR mixing scheme. Currently it does not work with transferring the history to this one	Nick Papior	7 years ago
541	Added more TS documentation Added more TS documentation - Added equilibrium contour documentation - Added non-equilibrium contour documentation - Added how to put in atoms in the input block - Reduced the Fermi function cutoff energy (2.5 kT) is now the new minimum.	Nick Papior	7 years ago

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