Version History

Release 1.4 - 20260602

• new Baumgaertel–Winter Maxwell-mode theory with mode loading, merging, deletion, and improved simplification workflows; available both in the LVE and Gt applications.

• selectable theory error metrics including MSE, MAE, MSRE, and MRAE;

• a new data resampling tool;

• safer centralized expression parsing;

• broad internal improvements to parameter handling, typing, tests, and GUI robustness.

• extensive Pyright-based validation and focused tests for theory helpers, mode export, error metrics, and polymer-distribution calculations.

Release 1.3.18 - 20260511

• Added the LP2R LVE theory backed by the original LP2R C++ code through a pybind11 solver

• Added LP2R validation tests against the original command-line output and reference data in data/L2PR/LVE

• Added LP2R support for lognormal, discrete and imported MWD polymer inputs, including .gpc import with mass-unit conversion

• Added the LP2R components dialog for adding, editing, removing, importing and normalizing polymer components

• Added LP2R advanced numerical controls and improved KWW/glass calculations (MSVC-safe)

• Added Materials Database unit awareness

• Updated DSMLinear unit handling so legacy molar-mass calculations remain in Da

Release 1.3.16 - 20260427

• Added a core unit-conversion system with canonical internal units and display-unit conversion helpers

• Added unit-aware data columns, axis labels, file parameters, application parameters and selected theory parameters

• Added unit metadata for several rheology theories while preserving existing numerical calculations

• Updated user and developer documentation for the unit-aware behavior and its current coverage

• Added and adjusted tests for unit conversions, GUI setup and application/theory behavior

Release 1.3.15 - 20260228

• Added tests for selected LVE theories, MWD, TTS and SANS

• Added pyproject.toml

• Removed versioneer.py from the version-tracking workflow

• Added documentation for the packaging workflow

• Fixed Nuitka flags

• Corrected the release workflow

• Updated the Linux CI workflow to install required packages

Release 1.3.4 - 20260225

• Added GitHub workflows for package creation with Nuitka and commented out older workflows

• Added scripts and generated files needed to build distributions without runtime UI compilation

• Added build_ui.py to generate Ui_*.py files from .ui files and *_rc.py files from .qrc files

• Updated resource and UI handling so the application can run in packaged builds on Windows and Linux

• Added a Linux distribution script with Nuitka

• Updated dependency pins and requirements for Python 3.11 and newer Python/Numpy/Scipy combinations

• Added and reorganized tests, including data files for shear flow of PI

• Fixed a Rolie-Double-Poly issue and plot-layout behavior when RepTate is resized

• Improved version display when git metadata is unavailable

• Updated README and packaging-related documentation

Release 1.3.3 - 20231219

• Optimization with integer parameters (Pom-Pom)

• Expanded shear and uext file to contain gammadot and epsdot

• Some theories can handle time dependent flow rate

• Fit simultaneously Creep and Creep Recovery experiments of the same sample.

• Better import from Excel; Data imported from Excel can be fitted with theories

• Allow to save current DataSet

• Show several theories with different linestyles

• Changes to the code to make it compatible with modern versions of Python, Numpy and Matplotlib

• Removed CLI (Command Line Interface).

• Removed high DPI option (automatically handled)

• Removed spinbox to increase/decrease number of views (giving problems)

• Removed mplcursors (data can be tracked by showing the Figure Toolbar)

• Changed PyQt5 –> PySide6. Solved the High DPI problem on Windows

• Removed bug that erased figures when switching tabs in multi plot view

Release 1.1.0 - 20200527

• NEW DSM theory in the LVE App (thanks to J. Ethier & J. Schieber)

• NEW Tool Powerlaw

• NEW TTS Shift any data from the Materials Database tool

• NEW Basic Theory (Algebraic Expression). It can use file parameters

• NEW Stand-alone applications (Materials Database and Universal Viewer)

• NEW logging functionality

• Corrected small bugs, simplified code structure and documentation

• Open files, theories, tools and projects from the command line

• Created pypi package

• Some tools can now use file parameters

• Materials Database shows info about current files

• Added colors and simplified the command line notation

• Added better version control

Release 1.0.0 - 20200330

• NEW Crystal application for flow induced crystallization

• NEW LAOS application for the analysis of large amplitude oscillatory shear data (based on MITlaos)

• NEW Sticky Reptation theory in the LVE module

• NEW ReSpect theory to extract the continuous and discrete relaxation spectra in the LVE and Gt Apps

• NEW GO-polySTRAND theory for flow induced nucleation in the Crystal App

• NEW Smooth-polySTRAND theory for flow induced nucleation in the Crystal App

• NEW theories Rolie-Poly, UCM, Giesekus and Pom-Pom in the LAOS App

• NEW Installation package for Windows with file associations

• NEW Global and local optimization methods

Release 0.9.7 - 20200117

• NEW right-click to save chart

• New Windows installation package with association of common RepTate files

• New functionality for Materials Database (new/edit/duplicate materials)

Release 0.9.6 - 20191111

• NEW axes and label setting options

• NEW Arrhenius theory in TTSFactor app

• NEW enable delete data points

• NEW: import excel files dialog

• Correction to Carreau-Yasuda theory

Release 0.9.5 - 20181205

• New React theory “Diene CSTR”

• New Rolie-Double-Poly-LVE theory for polydisperse entangled linear polymers

• New BoB NLVE theory

• New NLVE theory: PETS model

• New NLVE theory: GLaMM

• Changed BoB so it doesn´t generate auxiliary files

• View all theories applied to current dataset simultaneously

• Added cursor to check data values with the mouse

• Corrections to bugs

Release 0.9.3 - 20180719

• New App: to handle and fit TTS shift factors

• New Tools for manipulating how data is represented (draggable to set the order of application)

• New Tools: Integral, Find Peaks, Gradient, Smooth data, set bounds to data, Evaluate Expression, Interpolate/Extrapolate

• New Materials Database (implemented as a Tool); theory parameters are read from the database if the chemistry is available

• New View: i-Rheo for J(t), with oversampling

• Handling of citations

• Bayesian information criterion printed in theory output

• Save to Flowsolve button in RP and BlendRP theories

• Save Maxwell modes in all theories

• Copy/Paste parameters between theories

• Legend settings and autoupdate legend

• Better bug handling (send email to developers)

• Save all views data to a text file

• Shifting of files; handling and saving shift parameters

• Nicer HTML output in Theory and Tools

• Allow calculations and fits to be stopped

• Developer docs: Callback functions

• Zoom (right button and wheel; zoom in and zoom out) and Pan (middle button)

• Dummyfiles to check theory predictions without experimental data

• New NLVE test data

• Allow many plots in the same application

Release 0.9.2 - 20180503

• Save theory predictions to a file

• Save/Load RepTate project

• New App: Dielectric spectroscopy

• New Dielectric Theories: Debye and Havriliak-Negami relaxation modes

• New Dielectric Theories: Kolhrauch-Williams-Watts (KWW) modes (BETA VERSION)

• Select xrange for iRheo G(t) view transformation

• alternate filled/empty symbols for views with n>1

• Read data from Excel file (only in CL version, LVE app)

• Zoom plot with mouse wheel (does not work if multiview > 1)

• Added all LVE views to TTS.

• LVE app can open osc files.

• Added missing views from old RepTate

• i-Rheo is the default view for panel 2 (Gt)

• Calculate integrals and find peaks of data (Experimental, only in CL version)

• “get modes” for Blend RP theory

Release 0.9.1 - 20180416

• New MWD Theories: Generalized Exponential (GEX) & LogNormal distributions

• New Gt View: i-Rheo transformation with tunable oversampling

Release 0.9 - 20180327

• New App: SANS for Neutran Scattering experiments

• New App: Creep

• New TTS Theory: WLF with temperature independent parameters

• New LVE Theory: Branch-on-Branch linear rheology from polyconf file

• New LVE and Gt Theories: dynamic dilution of star polymers in freq and time domain

• New LVE and Gt Theories: Rouse model in freq and time domain

• New NLVE Theory: Blend of Rolie-Poly equations for polydisperse melts

• New NLVE Theory: Pom-pom model

• New NLVE Theory: Giesekus constitutive equation

• New NLVE Theory: Upper-Convected Maxwell constitutive equation

• New Creep Theory: Retardation Modes

• New SANS Theory: Debye function for neutron scattering of ideal polymer chains

• New React Theory: generate polymer configuration with BoB

• New View i-Rheo in Application Gt

• Double click on theory parameter to change its attributes

• Auto fit when dragging x/y-limits

• Select format of theory lines

• New basic theories (exponential, polynomial, etc), available to all Apps

Release 0.8 - 20180215

• New App: React

• New Gt View: Schwarzl tranform

• New LVE View: all views from old RepTate

• New NLVE File type: elong for startup of extensional flow

• New React theory: Tobita Batch

• New React theory: Tobita CSTR

• New React theory: MultiMetallocen

• New React theory: Mixture

• New LVE theory: Carreau-Yasuda equation

• New NLVE theory: Rolie-Poly with finite extensibility

• New color palettes

• Fixed bug: add file when theory exists

• Fixed small bugs in MWD theory

• Fixed bug: ticking files to visible shows the old view

• Views sorted

• Delete datafile with Supr

• Theory applies to active files only

• New automatic TTS shift

• Can use parallel threads for calculation and minimization

• Save BoB configuration to file

• Improved output from TTS theories

• Added Multiplots capability

• Double-click on file allows to view/edit file parameters

• Copy chart to clipboard

• Right-click on a series allows to copy/save the data

• Open files when passed as command line arguments

• New button to prevent autoscale

• Added buttons to read online documentation

• MW Discr theory with draggable modes

Release 0.7.1 - 20171209

• New App: Gt

• Shift Maxwell modes by hand

• Interpolate Maxwell modes when the number of modes is changed

• Symbol settings dialog

• Basic handling of units

• Redesign the theory tab widget

• Zooming with mouse wheel (only in CL version)

• Button to add annotations to the plot (beta)

• Button for xy range selection for fit

• Copy data from inspector to clipboard

• View/move Maxwell modes in plot

• New icons from icons8

• View LVE envelope in RoliePoly

• Added stretching modes to RoliePoly

Release 0.5 - 20171105

• New GUI with same functionality as the command line

• New App: MWD

• New MWD theory: MW Discretize

• Fixed Bug: view all when changing tab

• Copy Maxwell modes from other App

• Use parameter bounds in fitting

• Drag and drop files to the RepTate window

• Double-click on tabs to change name

• Button to Reload data

• Highlight currently selected file

• Data inspector shows file raw data

• Draggable lines

Release 0.1 - 20161209

• Basic structure of RepTate

• Basic command line application

• New App: TTS

• New App: LVE

• New App: NLVE

• New LVE Theory: Maxwell modes fitting

• New LVE theory: Likhtman-McLeish

• New NLVE theory: Rolie-Poly

• Run in batch mode

• Basic Read the docs documentation