A major update of the CONUSS program package was released today.
— all, added: new module kdec for the deconvolution of complex-source MB data;
— all, added: support for qtgrace runtime graphics;
— all, added: automated self-test for CONUSS modules;
— all, added: formula-type parameter dependencies in material data file (requires tclsh);
— all, updated: install scripts, mca2exp script;
— all, updated: Mössbauer isotope data now based on Mössbauer data base;
— all, updated: isotope data can be defined as inline file in material data files, which enables fitting of isotope parameters;
— all, updated: built-in runtime graphics (module kdsp) discontinued;
— all, updated: parameter grouping by name discontinued;
— kfor, added: local effective thickness ouput files;
— kfit, added: power spectrum output files for data, fit, and residuals;
— kfit, added: support of user-defined source profiles;
— kfit, added: image output file option for theory calculations;
— kctl, updated: improved accuracy for numerical derivatives of fit parameters;
A minor update of the MINUTI program package with enhancements was released today.
— binary package for MacOS arm64 architecture (M-type processors) now supported;
— GUI, added: sanity check on preferences;
— GUI, added: allow multiple simultaneous invocations of minuti via GUI menu option;
— seos, updated: spin EOS conversion behavior improved;
A minor update of the PHOENIX program package was released today.
— binary packages for MacOS arm64 architecture (M-type processors) and Linux now supported;
— install script, updated: the spath option now allows both, prepending and appending of directories;
— md5 and sha256 checksums for package files provided;
— GUI, added: sanity check on preferences;
— GUI, updated: window dimensions on large screens;
— GUI, fixed: project reload;
— GUI, fixed: version check fails with a syntax error;
— GUI, fixed: various stability improvements;
— padd, fixed: input GUI panel save behavior;
— phox, fixed: certain GUI panels were not updated correctly.
A minor update of the MINUTI program package with enhancements was released today.
— install script, updated: the spath option now allows both, prepending and appending of directories;
— GUI, added: sanity check on preferences;
— GUI, added: prevent multiple simultaneous invocations of minuti;
— GUI, updated: window dimensions on large screens;
— GUI, fixed: version check fails with a syntax error;
— sfit, fixed: numbers were sometimes identified as mathematical expressions for fit parameters;
A minor update of the MINUTI program package with enhancements was released today.
— GUI, fixed: internet issues could make the GUI unresponsive (the GUI checks for new versions on startup);
— sfit, added: mathematical expressions using fit parameters (requires tclsh scripting language);
— sfit, added: comb function, mostly used for calibration data;
— sfit, added: generic user-defined functions, an external script or executable calculates function values;
— sfit, fixed: data masking in the GUI failed with unsorted data;
A major update of the MINUTI program package including the new module sfit was released today.
— optional self test during install was added;
— md5 and sha256 checksums for package files provided;
— GUI, added: panel for new module sfit;
— seos, added: presets for spin-EOS electronic states;
— sfit, added: new module for general peak fitting including X-ray patterns;
A minor update of the MINUTI program package with several new features was released today.
— binary package for linux OS was added;
— Docker image is now posted at hub nrixs/minuti;
— built-in X11-based graphics (module sdsp) discontinued;
— GUI, added: run-time graphics support through GUI;
— GUI, updated: panels for seos svec, and sbck modified to streamline workflows;
— sbck, added: file names can be dragged from directory listings into stack input panel;
— seos, added: temperature dependent parameter output for 3d simulations;
— seos, added: creation of file with fit results that can be imported into simulation panel;
— seos, added: binary output format of 3d simulation arrays;
— seos, fixed: errors of quantities derived from fitted parameters were sometimes reported as too large;
— seos, fixed: transition pressure and width in 3d simulation mode sometimes incorrect.
A minor update of the PHOENIX program package was released today.
— binary package for linux OS was added;
— Docker image is now posted at hub nrixs/phoenix;
— built-in X11-based graphics (module pdsp) discontinued;
— GUI, added: run-time graphics support through GUI;
— GUI, fixed: lock-up on start if two invocations of PHOENIX were accessing the same project;
— phox, modified: GUI panel;
— psvl, added: image of likelyhood of Debye velocity fits;
— psvl, added: image of Debye velocities for all fits.
A minor update of the MINUTI program package with several new features was released today.
— GUI, updated: panels for seos svec, and sbck modified to streamline workflows;
— sbck, added: automatic choice for background refinement parameters;
— sbck, added: asymmetric polynomial fit to background function;
— sbck, added: complete quench of negative values after background subtraction;
— sbck, updated: negative values are visible in images with log-scale;
— seos, added: images for 3d simulations;
— svec, fixed: sometimes sound velocity sheets were discontinuous;
— svec, added: images of map projections of siund velocity sheets;
— svec, updated: limits on size of sound velocity sheets.
An intermediate update of the MINUTI program package with a new module, sbck, was released today.
— GUI, added: Preferences->Applications more options for custom apps;
— GUI, updated: stability of folder auto-update improved;
— GUI, updated: plots now auto-apdate after running a module;
— GUI, updated: error handling improved;
— new, added: module sbck to perform automated background subtraction for stacks of XRD 2-theta patterns;
— seos, added: choice of three Grueneisen parameter models;
— seos, added: pressure dependent error ellipses;
— seos, updated: increased array sizes for large data sets.
A minor update of the PHOENIX program package was released today.
— GUI, fixed: some users experience lock-up when switching task panel;
— phox, added: optional subtraction of preprocessed S(E) from potential contaminants.
A minor update of the PHOENIX program package was released today.
— GUI, added: more options in Preferences->Applications;
— GUI, improved: stability of folder auto-update;
— all, changed: PHOENIX modules now own their runtime graphics window;
— phox, added: generation of DOS auto-correlation function;
— phox, added: generation of time-dependent intermediate scattering function;
— phox, added: generation of powerized S(E);
— phox, changed: units of ln(beta);
— psvl, fixed: shape of the sound velocity distribution function was not fitted correctly (minor effect on results);
— psth, changed: units of ln(beta).
A minor update of the CONUSS program package was released today.
— all, fixed: unable to create pipes for run-time graphics on HFS/AFS file systems;
— all: minor fixes and improvements;
— kmix, added: user-defined intensities for multiple bunch SR time structures;
— kmix, added: absorber scan modes with time or polarization filtering;
— kfit, added: user-defined distribution functions for time/energy/thickness/angle averaging;
— kmco, added: choice of sampling box distribution function: rectangle, gaussian, exponential, U-gaussian;
— kmco, added: use of directories to organize the various output files;
— kctl, added: create input files for CONUSS modules with best-fit parameter values.
An intermediate update of the MINUTI program package with a new module, smix, was released today.
— GUI, added: "New Window" option starts a new instance of the GUI;
— GUI, added: png, jpg, tiff export from plot windows, requires GhostScript to be installed;
— GUI, updated: newly organized preference panel;
— GUI, updated: fast project search for MacOS;
— GUI, fixed: "New Project" wizzard fails to open properly;
— new, added: module smix to perform and optimize linear mixing of mineral properties;
— seos, added: spin-transition element presets;
— seos, updated: determination of spin transition pressure.
A minor update of the PHOENIX program package was released today.
— GUI: various minor fixes;
— GUI, added: png, jpg, tiff export from plot windows, requires GhostScript to be installed;
— padd, updated: the maximum number of input files was increased from 100 to 300.
A major update of the PHOENIX program package was released today: the all new PHOENIX-3 with graphical user interface.
— all, added: Tcl/Tk based GUI, app for MacOS;
— all, added: choice of output format;
— padd, added: counting time option for input files;
— padd, added: quality analysis of input files;
— phox, added: consistency deviator analysis with fit option;
— phox, added: more options for resolution function subtraction;
— phox, added: output of DOS covariance matrix;
— phox, fixed: error propagation in moment calculation;
— phox, fixed: resilience value was given three times too low;
— psvl, added: choice of fit function to Debye profile;
— psvl, added: probability distribution function mechanism for Debye sound velocities (R.Morrison et al. PEPI, 2019);
— psth, added: DOS covariance matrix input option;
— psth, added: resolution function input option;
— psth, fixed: propagation of errors from kinetic energy to ln(beta).
A major update of the MINUTI program package was released today: the all new MINUTI-2 with graphical user interface.
— all, added: Tcl/Tk based GUI, app for MacOS;
— all, added: choice of output format;
— seos, added: improved control over fit procedure;
— seos, added: normalized error ellipses;
— seos, added: V-K-K' and rho-v_phi covariance matrix output;
— seos, added: 4th order equations-of-state;
— seos, updated: output options;
— seos, updated: Fisher information matrix;
— seos, updated: prior weighting now considers size of data set;
— seos, fixed: error ellipse for positive correlations was incorrect;
— seos, fixed: f-F plot errors were incorrect for non-BM EOS;
— seos, fixed: fit parm errors were not weighted with chi^2;
— simx, updated: prior weighting now considers size of data set;
— simx, fixed: fit parm errors were not weighted with chi^2.
An intermediate update of the CONUSS program package was released today.
— all, improved: error handling;
— all, fixed: install script error when graphics programs are found in more than one directory;
— all, fixed: xmgrace would report errors and crash;
— all, updated: minor fixes and improvements;
— new, added: module kpnr to calculate electronic and pure nuclear Bragg/Laue reflections;
— new, added: module kvzz to calculate electric field gradient axes from local environment.
A minor update of the PHOENIX program package was released today.
— all, updated: streamlined output extensions, optional csv output format;
— psvl, improved: fit stability;
— pdsp, added: runtime graphics supports re-use of display window.
A minor update of the CONUSS program package was released today.
— all, updated: streamlined output extensions, optional csv output format;
— kfor & kref, added: correlated hf distributions, mixed multipole transitions, theta/phi distributions;
— kfor & kref, fixed: incorrect handling of spin 1/2 excited state;
— kfor, added: reports largest effective thickness values;
— kref, fixed: input file conversion on Linux systems;
— kctl, added: dual fit for sample and sample+reference, fit parameter boundaries, Levenberg-Marquardt damping;
— kmco, added: dual simulation for sample and sample+reference, implementation of multi-core calculations;
— kmco, fixed: handling of named sampling groups, sampling parms defined in in_kfit were ignored;
— kdsp, added: runtime graphics supports re-use of display window.
A minor update of the MINUTI program package was released today.
— seos, fixed: sometimes the spin-transition pressure and width were calculated incorrectly.
An intermediate update of the CONUSS program package was released today.
— all, added: informative protocol and log files;
— all, added: runtime graphics support;
— all, added: manual explaining input and output files;
— kfor & kref, added: extendible database for MB transition parameters;
— kfor & kref, added: more choices for distribution functions;
— kref, updated: simplified input files;
— kfit, fixed: corrected “ag” averaging option left/right inversion;
— new, added: module kfor dedicated to forward scattering and MB spectroscopy with simple input files;
— new, added: module kgin dedicated to grazing incidence scattering formalism.
A minor update of the MINUTI program package was released today.
— seos, added: output files with intermediate fit results (*.csv) and density (*.dns);
— seos, updated: improved content of protocol file;
— seos, fixed: fit parameters with weak influence on the fit quality were sometimes not varied.
A minor update of the PHOENIX program package was released today.
— all, updated: improved runtime graphics;
— all, updated: organization of output files.
A minor update of the PHOENIX program package was released today.
— phox, fixed: entropy calculation was not correct.
A minor update of the MINUTI program package was released today.
— seos, added: calculation of Fisher information matrix to judge fit parameter dependencies;
— seos, added: calculation of specific heat at constant volume;
— seos, added: calculation of temperature derivative of bulk modulus at constant pressure;
— seos, fixed: calculation of the vibrational free energy used incorrect reference temperature;
— seos, fixed: calculation of seismic velocity used incorrect Grueneisen ratio;
— simx, added: calculation of Fisher information matrix to judge fit parameter dependencies.
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