iFit 2.0.2 (Nov 2018 - bug fix): major upgrade focused at Neutron Scattering methods

2.0.2: bug fix update: miFit: File/Open menu item and neutron_TAS/4D convolution. (Nov 27th 2018)

Get binary installers and documentation at http://ifit.mccode.org

Downloads and Installation at:

• http://ifit.mccode.org/Install.html

The Linux and Windows installers require to install the Matlab Compiler Runtime (MCR) as well.

iFit 2.0 (Oct 2018): major upgrade focused at Neutron Scattering methods

Major release 2.0:

• updated iData and iFunc storage classes. The object usage is not modified, but sub-classes are now possible, allowing more specialized methods for specific use. See http://ifit.mccode.org/Changes.html#mozTocId16941 if you experience load/save crashes.
• New iData/imroi http://ifit.mccode.org/Plot.html#mozTocId313946 interactive region-of-interest and mask selection.
• New iData.slice http://ifit.mccode.org/Plot.html#mozTocId633428 for 2D objects (only worked so far for 3D).
• Neutron scattering http://ifit.mccode.org/Neutron_Scattering.html specific methods: iData_Sqw2D (for S(q,w) 2D data sets), iData_Sab (for S(alpha,beta) data sets), iFunc_Sqw4D (for S(qh,qk,ql,w) 4D models)), iFunc_McCode (for McStas/McXtrace models http://ifit.mccode.org/McStas.html) classes. iData_Sqw2D can now be exported to INX, ISIS SPE and McStas Sqw files.
• Phonon/ASE models http://ifit.mccode.org/Models.html#mozTocId990577 are now Python3 compatible.
• New SpinWave model http://ifit.mccode.org/Models.html#mozTocId826778 from S. Petit.

Get binary installers at http://ifit.mccode.org

About 500 commits (bug fixes, new features) have been pushed since release 1.10.

Downloads and Installation at: http://ifit.mccode.org/Install.html. The Linux and Windows installers require to install the Matlab Compiler Runtime (MCR) as well.

v1.10

new mccode model maker, replacing the 'mcstas' function. New mccode_mcdisplay function which does not require external libraries. New fmin/fmax for iFunc. Added TextEdit as editor for iFit standalone. Build iFunc from input Table data file. Save iData as AVI movie/PPTX/XLS/KML. Phonons: added thermochemistry and Tutorial ; PhonoPy support. Fix Python/iFit. ResLibCal: allow export as HTML report and more coordinate frame choices, added FLEXX config. List of tickets for this release.

v1.9

added structure optimisation step before the phonon calculation in ab-initio DFT phonon dispersion Model. Added QE/ASE interface to Model Sqw. Faster phonon calculation using crystal symmetries. Improvements in S(q,w) treatment scripts. Data loaders for Mass Spectroscopy formats, ENDF and ACE nuclear data. Export iData/iFunc to HTML. Can now use SpinW objects as iFunc/Model. iData/iLoad can now import Horace Sqw files. New miFit user interface for data analysis [Load/Plot/Fit/Export], which allows 4D convolution/fit. ResLibCal has now a full Monte-Carlo resolution calculation using McStas templateTAS. (March 21st 2017). List of Tickets for this release.

v1.8

read ILL Cyclops HBIN and IDL SAV files. Iterative deconvolution as deconv method. Major upgrade of ab-initio DFT phonon dispersion Model, which now supports EMT, GPAW, ABINIT, Elk, Dacapo, NWChem, QuantumEspresso and VASP when installed. S(q,w) treatment scripts to compare MD and measured dynamic structure factor, compute dynamic range, generalized density of states, total scattering cross sections, characteristic frequencies, powder average from 4D S(hkl,w). Full compatibility with Matlab releases >= R2014b (April 7th 2016). Upgrade 1.8-3: Fix read_anytext to only use external 'looktxt': no more MeX (April 19th 2016).

v1.7

OPUS FT-IR, LLB TAS, LabView LVM and TDMS file format import. Fixed curvature in ResLibCal/Rescal5/Popovici method. Added predefined TAS configurations in ResLibCal and cross-checked computation methods. Fix TAS angles in 3D view. Initial support for nD Gaussians and 4D TAS convolution. Added Gaussian smoothing. Compatibility with Matlab new graphic objects (R2014b). Better handling of arguments to standalone iFit. Added fill method to remove NaN's in iData objects. iFunc 4D S(q,w) models from either analytical or ab-initio methods (Oct 14th 2015).

v1.6

Fix to text loader (looktxt). Sanitized HDF and NetCDF, McStas import. Cross-checked and validated ResLibCal. iFunc models can now be used as objective function in optimization. Fixed iData/trapz style operators. fix R-factor estimate. (April 24 2014)
fix for the importation of McStas/McXtrace files. Added technical documentation. Fix in binary iFunc operators (Guess). Fix for the R-factor determination. Fix in text importer (looktxt).

v1.5

Improved file importation system, JSON, and NetCDF/CDF/NeXus/HDF support, import/export of Mantid workspaces (HDF/NeXus), import of Igor pro wave files and Wavefront Obj 3D. Installation through Debian repository. Much faster save to MAT files. New smooth, continuous wavelet transform, k-means, reshape and resize iData methods. Improvements in the iData processing speed and memory management. (Sept 29th 2013)

v1.4

PyFit Python interface. Fix in iData integration routines error bar propagation (trapz, sum, ...). Fix in iData/combine when monitors are default (1). Better detection of duplicated data sets from recursive iData/load. Fix in text import (supports NaN,Inf, faster by 15%). Fixed auto guess in gauss,lorz,... Models. Added proper Unit/integration test infrastructure. Fixed some methods for iFunc objects with parameter names followed with comments. Support for McStas/mcdisplay as an Application. (June 28th 2013)
Support for loading CIF/CFL/ShelX structure, EZD/MRC/CCP4 electron density formats. Load/save of YAML/JSON/XML files. New Rietveld model that uses a McStas neutron diffractometer model to convolve the structure factors and fit with diffractometer data. Added TAS neutron spectrometer resolution computation ResLibCal as an Application. iData commandhistory can be saved as a Matlab script. Added nlorz and ngauss Models. Fix of iData/combine with scalar Monitor values. Better memory handling in iData/load. iFunc support parameter constraints fix/min/max/assign as object.=. Fix in reading text files with changing columns number. Execution speed improvement in all object operators. Allow fitting of event data sets.

v1.3

Support for SIF, MarCCD, Roper SPE ADSC X-ray CCD. Export to X3D, fix for some text file import, support for the Parallel Computing Toolbox (when available), improved interpolation, added meshgrid, rotate, radial integration (cart2sph), better support for event files, save of iFunc models to m-files. Added simple models for small angle scattering form factors and structure factors. Improved McStas/McXtrace support. Embedded help system, array and graphics editor in standalone version. Save object history to script file (Nov. 29th 2012).