Version 12.2001Linux, Unix OSF1, OpenVMS 1.5-7.2 Version 12.2001 of GNXAS contains a substantial upgrade of the FITHEO program. It incorporates all of the features of the previous x.99 and x.00, x.0000 versions so please refer to README_info_2_99.html for further information. Features of version 12.2001:Please note: the 12.2001 version has been compiled using the 2.2.40 Kernel and 2.2.16 Kernel and 2.2.14 Kernel under Linux (Red Hat distributions). It incorporates all the advances of the previous versions. It has been used for a couple of years and no major problems were reported from vrious users all around the world. The old 3.2001 version still available was compiled using the 2.2.16 Kernel under Linux (Red Hat 7). Upgrades in FITHEO New graphic output using simple multi-column files suitable for direct usage with gnuplot. The new flags are IOUT=8,9 with color output for current Linux Topdrawer versions plus simple gnuplot output: 'abs',COMNAM,'.gnu' --> content similar to 'PA' topdrawer plot, different 'ab'K files created for each edge K 'fou',COMNAM,'.gnu' --> content similar to 'PF' topdrawer plot, different 'fo'K files created for each edge K 'exa',COMNAM,'.gnu' --> content similar to 'PE' topdrawer plot, different 'ex'K files created for each edge K A new subroutine outgraph_gnu for writing gnuplot graphics has been created. If IOUT.eq.9 (corresponding also to ITOP.eq.5) then a new file named 'runfit.par' is written during the minimization. This 8th-column file contains the number of calls, residual value, five selected running parameters values, plus the total number of parameters. A new card (CARD 25) is needed just before the MINUIT minimization commands in order to select the five relevant parameters. The 'runfit.par' file can be visualised on-line during the minimization procedure using suitable gnuplot macros. Moreover, IOUT.eq.9 implies also that the 'exa',COMNAM,'.gnu' file is continuously updated during the minimization and therefore XAS experimental and theoretical curves can be monitored during minimization using suitable gnuplot macros. If IOUT is a negative number -8,-9 the program will produce ONLY the gnuplot output and NOT the Topdrawer one. Another new feature is the possibility of introducing a smooth onset for the initial point of the fit (EI(1,K)). The smooth onset is activated by writing EI(1,K) as a negative number (it is automatically transformed in a positive number). A second card (6B.1) defines the width (wdelta) of the onset. This feature was implemented by A. Filipponi and N. Morgante in order to limit the effect of the choice of the initial point in the refinement. The distribution now contains additional command files and scripts useful for FITHEO under Linux/Unix. The command file fitheo.sh allows structural refinement (with a generic input file fitheo.in) and simultaneous visualization of the results using gnuplot scripts named sh_multi (single-edge) sh_multi2 (2 edges) and sh_multi3 (3 edges). Comments to andrea.dicicco@unicam.it or adriano.filipponi@aquila.infn.it |
