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Releases: shahramyalameha/ElATools

Version 1.7.3

12 May 17:53
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v1.7.3 [12/05/2022]: Added command-line options and Improvements.

  • See Elatools.x -h help

Version 1.7.2

19 Nov 01:49
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v1.7.2 [19/11/2021]: 🐛 Bug Fixes and 🙌 Improvements

  • [1] Bug fixe in dat2html.x.
  • [2] Added mesh in the 2D-cut calculations (except acoustic phase/group velocities and power flow angles).
  • [3] Added new features of 2D-cut in dat2html.x (see dat2html.x -h).
  • [4] Update Plotly.js lib.
  • [5] Added new options in Makefile: You can compile each program (make all or make elatools, make dat2gnu.x, etc. ) individually.
  • [6] New logo of ElATools Package

Version 1.7.1

22 Sep 21:28
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v1.7.1 [23/09/2021]: Fixed a number of bugs.

  • Fixed a bug in identifying ductility and brittleness of materials.
  • Fixed a bug in storing data in DATA.dat file.
  • Fixed a bug in calculating the Cauchy pressure of cubic cases.
  • Fixed a problem in detecting mechanical stability ( and stopping the program).

Version 1.7.0

13 Sep 15:33
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v1.7.0 [07/09/2021]: Version 1.7.0 is a major update, with several new features and many bug fixes.

- Add `dat2html.x` program.
- Add Min. thermal conductivity property.
- Bugfix in 2D materials properties.
- Add theta-mash points for more accurate calculations.
- Improved terminal-based GUI.
- Add polar heat-maps for 2D materials
- Add color customization options in `dat2gnu.x` and ‍`dat2html.x` programs.
- Add new options for dat2agr.x program.
- A function was added to separate similar files(DatFile_hkl and PicFile_hkl).

Version 1.6.9

21 Jul 21:49
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v1.6.9 [22/07/2021]: Bug fixes, and optimization of f90 files for gfortran compiler.
Please install the following libraries for this compiler:

sudo apt-get install liblapack-dev
sudo apt-get install libblas-dev

Version 1.6.8

15 Jul 12:24
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v1.6.8 [15/07/2021]: Add an online database option with more than 13000 elastic constants (Cij) for 3D materials.

Version 1.6.7

09 Jul 12:58
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v1.6.7 [09/07/2021]: Add "Back" option in GUI. Fix bug in "Advanced option" of 2D materials.

Version 1.6.6

04 Jul 23:26
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v1.6.6 [05/07/2021]: Add Cauchy pressure for Cubic, Hexagonal, Trigonal, Tetragonal, and Orthorhombic symmetries.

Version 1.6.5

08 Jun 09:39
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v1.6.5 [08/06/2021]: Adde advanced option for 2D materials.
To enter this option, after selecting the two-dimensional system, select the option related to the elastic tensor Cij-2D.dat.

This option should be used for rectangular, quadratic, and oblique
2D materials. This option has not been tested. Be careful when using.

Version 1.6.4

31 May 21:18
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v1.6.4 [01/06/2021]: Add a function to calculate the hardness.
3D and 2D representations of hardness can be plot by dat2gnu.x and dat2wrl.x.
$ dat2gnu hard: 2D cut of hardness
$ dat2gnu hmhard: 2D Heat map of hardness
$ dat2wrl hard: 3D representations of hardness