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CHANGELOG.md

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Changelog

All notable pypsbuilder changes.

[2.6.1] - master

Added

  • Both PyQt5 and PyQt6 are supported and need to be specified as extra option during installation

[2.6.0] - 2025-01-23

Initial PyQt6 release

[2.5.3] - 2024-12-18

Latest version using PyQt5 only

[2.5.0] - 2024-12-13

Fixed

  • fix for coe-q

[2.4.2] - 2024-04-23

Fixed

  • another fix of and-ky-sill triple point linking

[2.4.1] - 2024-03-07

Fixed

  • fixed and-ky-sill triple point uniline suggestions
  • filled_over labeling fixed
  • cdf isoplths bug fixed

Added

  • overlap_isopleths method added

[2.4.0] - 2023-12-21

Fixed

  • important collect_grid_data bug causing isopleths twisting fixed.

Added

  • collect_ptpath missing field check added
  • remove_grid_data method added
  • isopleths bivariate spline method added

[2.3.6] - 2023-12-13

Added

  • search_composition method added to PTPS to find best estimate for isopleths intersection

[2.3.5] - 2023-12-09

Fixed

  • accept var check

[2.3.4] - 2023-03-10

Added

  • tristate labeling of uni and inv

Fixed

  • TC34API bug fixed

[2.3.3] - 2023-02-08

Fixed

  • gendrawpd bug fixed
  • missing omit or inexcess fix

[2.3.2] - 2023-01-31

Added

  • tcinit script added to initialize project directory
  • bulk table bug fixed
  • pointcalc method to run TC for given pT added to explorer
  • fixed some issues with creating areas
  • experimental vector isoplets for easy editing added (needs scikit-image)

[2.3.1] - 2022-10-06

Fixed

  • Fixed support for both TC34x and TC350beta
  • added tool to parse TC calculations (executed out of builder)
  • fixed ShapelyDeprecationWarning
  • fixed collect_ptpath() along 2-point path

[2.3.0] 2021-05-04

Fixed

  • latest THERMOCALC 3.50 compatibility

Added

  • isopleths quadratic surface fit method added
  • isopleths figure and savefig options added

2.2.2 - 2021-01-25

Fixed

  • gendrawpd fixed
  • fix to partially support TC347

2.2.1 - 2020-06-16

Added

  • bugfix release
  • option to to move invpoint and keep results (useful to fine-tune topology)
  • tool to cleanup storage (trim metastable calculations)
  • option to hide labels of connected lines and points

[2.2.0] - 2020-04-11

Added

  • ptbuilder, txbuilder and pxbuilder pseudosection builders
  • topology graph window added
  • dogmin implemented (results stored in projects)
  • autoconnect implemented
  • invariant point search implemented
  • merge of partially calculated univariant lines implemented
  • possibility to remove parts of univariant lines implemented
  • zoom to uni added to context menu
  • option to extend calculation range to extend univariant lines gently out of defined region
  • PTPS, TXPS and PXPS psexplorers implemented
  • possibility to merge several parts of pseudosection. Invariant points and univariant lines must be unique in single project.
  • calc along PT path implemented (now only for PT sections)

[2.1.5] - 2019-03-25

Removed

  • autocorrection of liquid model named as liq but starting guesses using L removed. User must check if liq model is coded properly. In case of tc-6xmn.txt it should be:
  % =================================================
  liq 8  1

     q(liq)          0.1814
     fsp(liq)        0.3490
     na(liq)         0.5840
     an(liq)        0.01104
     ol(liq)        0.01373
     x(liq)          0.7333
     h2o(liq)        0.4276

  % --------------------------------------------------

[2.1.4] - 2017-12-04

Fixed

  • clabel positioning
  • minimum contour level
  • silently ignore critical possible topology errors

[2.1.2] - 2017-04-03

Added

  • Option to show bulk composition on psexplorer figures
  • dio-o and gl-act-hb added to polymorphs

Fixed

  • psshow changed default color map to be darker for higher variance
  • manual or imported invariant points bub in psiso fixed

[2.1.1] - 2017-03-28

Added

  • colors and cmap args added to cli version of psiso
  • clabel arg psiso to place contour labels

[2.1.0] - 2017-03-23

Added

  • Write starting guesses from existing calculations (note that commented tags are needed in scriptfile)
  • Updated parsing include rbi data
  • Initial version of psexplorer to draw final pseudosections and isopleths (cli scrips provided)
  • Manual unilines and invpoints shown in bold in lists

[2.0.7] - 2017-02-13

Added

  • double-click on phaselist highlight all unilines with zero mode phase
  • option to export partial areas
  • Keyboard shortcuts added Ctrl-T and Ctrl-P for CalcTatP and CalcPatT, Ctrl-H Zoom home

Fixes

  • excess phases stored in unilines and invpoints
  • labeling phases sorted alphabeltically, same as phaselist
  • auto bug fixed

[2.0.6] - 2017-02-03

Fixed

  • path to executables stored in project
  • scriptfile parsing improved

[2.0.5] 2017-01-19

Fixes

  • output parsing fixed (hopefully...)
  • Rightclick invariant points menu fixed
  • area construction for drawpd export fixed
  • networkx dependecy removed

[2.0.4] - 2017-01-13

Added

  • saveas project added
  • working directory written to Log window
  • Log window catch output of both thermocalc and drawpd

[2.0.3] - 2017-01-13

Added

  • invview right click to select not yet calculated uni lines implemented

Fixes

  • Zoom uni button persistent
  • export list of phases in areas for TC-Investigator
  • drawpd areas construction fixed

[2.0.2] - 2016-12-10

Fixed

  • Areas export fixed
  • inv filtering fixed

[2.0.1] - 2016-12-10

Added

  • Recent files implemented
  • Adding manual uni and inv must be constrained by phases and out selection
  • Export areas to drawpd
  • Auto calculation around inv point

Fixed

  • scriptfile encoding fix
  • unilabels placement fixed
  • refresh instead plot during zoom
  • new unicutting algorithm
  • THERMOCALC mac-roman encoding used

[2.0.0] 2016-11-19

Added

  • Initial release of new generation of PSBuilder