v0.94.12 2023-01-12

• improved numerical stability of wormlike structure factor according to Koyama
• some older plugins are now using the new integration routines supplied in SASfit:
  ellcylshell, torus, ellipsoidal shell, superhelices, stacked discs, ring polymers,
  triaxial ellipsoidal shell, carved triaxial ellipsoidal shell, kholodenko worm,
  ring and linear polymer under shearflow, sheared spheroids, sheared cylinders, koyama worm
• made a variable substitution for the integration in sasfit_orient_avg to get more homogeneously distributed points on a spherical surface
• added form factor of cylinder with globular end caps
• the 1-Yukawa and 2-Yukawa structure factor stores now some previously calculated coefficients, which make it a bit more efficient.
• bugfix in calculating integral structural parameter.
  In certain (nonphysical) cases the fit as well as the plot of the fit result crashed.
• bugfix for star polymer with rigid arms
• due to flexible integration routines some of them calculate the function to integrate
  at its integration limits. For mass fractals this caused an error using these integration routines.
  There might be more such cases. The mass fractal plugins have been debugged.
• corrected in "sq 2D hard disks Rosenfeld" bug: $J_1(2x)/x = 2jinc(2x)$ instead
  $J_1(2x)/x = 1/2 jinc(2x)$
• changed lognorm_fp-size distribution as plugin and included now also the other cases as described in the manual. So far only the shape 1 was implemented.
• renaming dodecahedra into rhombic dodecahedra
• added size distribution plugin based on generalized beta distribution
• added skewed gaussian and exponentially modified gaussian size distribution
• added spherical-t design algorithm for integration over the surface of a sphere
• added a new form factor of PEGylated vesicle with smoothed interfaces
• added metalog size distribution as well as the Johnson's family of distributions (SN, SL, SB, SU) and its generalization
• update to FFTW 3.3.10
• supply of a piecewise constant potential for OZ solver
• moved sticky hard sphere and square well structure factors into the plugin menu folder.
  The order of parameters changed slightly to be a bit more consistent
• added RLCA and DLCA structure factors for aggregates, which include nearest neighbor correlations
• supply of internal multidimensional integration routines, which can be configured via GUI
• supply of internal orientation average integration routines, which can be configured via GUI
• added form factor of super-ellipsoid
• added form factor of super-egg
• update to gsl 2.7
• update to FFTW 3.3.9
• use under Widows systems a powershell script to copy a 2D image to the clipboard as the previous code does not work anymore under MSYS2. A similar solution might be available under Unix and MacOS
• added form factor for an octahedron
• added form factor for an tetrahedron
• added form factor for a cone with six-fold symmetry
• added form factor for a cone
• added form factor for a rectangular base pyramid
• added perl necklace model both with stiff rodlike connections as well as "freely connected rods"
• extended "random flight" structure model by introducing an uncertainty parameter for the step width identical to the paracrystalline model for lamellar structures
• for merging files a multiplier instead of divisor is used now
• added structure factor for a 2-Yukawa potential in MSA approximation
• added a parameter choosing for some of the wormlike micelle structure factors either a polydisperse or a monodisperse contour length
• added three more radial profiles of spherical symmetric objects showing a Porod-law different from q^-4
• added a trapezoidal peak function and its generalized as well as its symmetric variant
• added some cluster models for structure factors from [Larsen 2020]
• implemented a modified DAB model assuming a deformation and subsequent random orientation average of the standard DAB model
• implemented structure factors for multilamellar structures as plug-in function and added the monodisperse stacking case.
  In earlier version only the more practically relevant case of polydisperse case was implemented.
• added structure factors for one and two dimensional hard sphere potentials both for aligned structures in a certain direction as well as for random oriented 1D structures.
• the model Pcs:Plate+Chains(RW) now assumes always a non-zero surface area to avoid division by zero for zero layer thickness
• fixed a memory leak, when resolution function for single data set was used
• added form factor for ring polymer under shear flow in the approximation of Rousse modes
• successfully updated from gsl2.5 to gsl2.6 library.
• added a plugin for randomly oriented ellipsoids with a gamma-size distribution, where the integration over the size distribution can be performed analytically.
• added a generalized and lesser generalised form factor according to Fedorova describing several shapes and geometries of objects depending on only one size parameter visible in the q-range of the SAS instrument
• added a form factor describing the scaling function of a phase separating system after a quench in the miscibility gap
• added form factor for cylinders with a fuzzy interface (Pcs:Boucher cyl., Pcs:Boucher2 cyl., Pcs:fuzzy cyl., Pcs:linear shell cyl.) and the corresponding profiles in real space ("profile:Boucher cyl.", "profile:Boucher2 cyl.", "profile:fuzzy cyl.", "profile:linear shell cyl.")
• added in integral structural parameters a command for developing model-free calculations of size distributions using EM algorithms as well as Maximum Entropy methods and traditional Tikhonov regularization methods. This part is still experimental and not well documented in the manual.
• bug fix for TetraheadronDoubleShell. The double sum over the number of spheres has been corrected.
• bug fix in Porod cylinder as by moving the form factor to the plugin area the length parameter was assigned to the wrong index of the parameter array.
• supplied those models available for SESANS analysis as multiple scattering models because the projected correlation function is directly related to the intermediate function s(r) as described in the reference paper from Schelten and Schmatz, J. Appl. Cryst. (1980). 13, 385-390
• bug fix in the SESANS model of G_gDAB(z)
• added form factors of clipped random waves for 5 different two-point correlation functions
• added form factor of a stochastic model of a boolean union model of spheres with LogNorm size distribution.
• added form factor of a stochastic model of a dead-leave model of spheres with LogNorm size distribution.
• added form factors of polymers under shear flow
• added anisotropic form factor for step deformed networks according to the tube models of Warner-Edwards and a second one from Heinrich-Straube-Helmis
• added some additional azimuthal intensity distributions valid for long objects with certain orientation distribution (Maier-Saupe, Onsager)
• added some azimuthal intensity distributions based on the model of sheared cylinders and spheroids following a Maier-Saupe, Onsager, Heaviside, Gauss, or a Boltzmann orientation distribution. These functions return I(psi) instead of I(q)
• extended the reading routine for SESANS data. A common file format has been established. These data files have in their header a version information (FileFormatVersion 1.0). At the moment some old formats from Delft, where the projected correlation function still has to be calculated from the polarisation and the new format 1.0 are supported.
• removed the old entries for mass fractal structure factors which have been moved to the plug-in sub-menu.
• added some structure factors for worm-like micelles: one RPA approximation and three different PRISM approximations. For all of them an exponential length distribution is included.