- programs mcdiff, mcdisp, ansitropy make use of parallel processing (compiled for 2
processor machines, if you want to recompile for more threads see install.txt)
- cluster module for calculation of clusters of ions and/or hyperfine interactions
- bfk program added (J Keller) - Becker-Fulde-Keller model for conduction electron interactions
- singleion program extended to be able to read sipf files directly, cpsingleion to calculate specific
heat, entropy etc.
- perl parse option added to so1ion to be able to redefine operators
- resonant inelastic x-ray scattering cross section calculation possible with mcdisp option -x
- the many programs for displaying movies and densities (display_spindensity, display_chargedensities ...) are substituted by two programs: display_density and display_densities, which have options to enable all kind of graphics-movies-calculations.
- mcdiff/mcdisp: new and more complete logic for taking various possible
formfactors explained in manual and implemented in program mcdiff, parallelizing option -prefix for mcdisp
- mcphas.j: cffilename in mcphas.j replaced by sipffilename !!
removed gJ from mcphas.j input files (not read any more)
- change of concept: in mcphas.mf, mcdisp.mf, mcdiff.in we store/input now the exchange
field and not the effective field ! Thus program singleion will be started by:
singleion [option] T[K] Hexta[T] Hextb[T] Hextc[T] Hxc1Hxc2 Hxc3 ...
- a clear and complete distinction between interaction
is made. Therefore the
user programmed c-module functions had to be redefined - thus loadable modules
programmed by users, which conforming to the old module function
names (such as dmcalc du1calc etc ...) and definitions will not work in mcphas 5.0.
e. g. external module function mcalc is replaced by Icalc (interaction
mcalc (magnetic moment).
- in output of mcphas: *.hkl files are created using mcalc function of sipf module
(i.e. they are based on the observable magnetic moment)
- some bugs removed: spin/density animations of osciallations, icf1ion, threading, rhoso1ion