orex

Hello Duanmu. Thank you for using my program. It is always very rewording to hear that "the user experience has been fantastic". As for your problem, please attach all the...

Dear Duanmu. I've just check last run. `-g` options stores all energies for all structures. As the number of structures is ~7.0e+10, the file can be around 1Tb large. Do...

Awesome! Good luck with your project. Don't hesitate to contact in case of any question.

Add `-p "Ba*:c=2" -p "Al*:c=3" -p "O*:c=-2"` to command line. Please check the tutorial and manual for detailed explanation https://orex.github.io/supercell/external/doc/supercell_tutorial.pdf https://orex.github.io/supercell/external/doc/supercell_man.pdf Additionally, It looks like that something wrong with your...

Probably this is a problem of MacOS. I have a possibility to support fully only Linux distribution. I've updated the version of MacOS for compiling the program. Please check it...

The issue should be solved in v2.1.1

Hello BigBMonster! If I understand you task correctly you just need to take a structure with one layer, create all permutation in A way and create a supercell with triple...

If you have layers arranged in the same way it means that the structure has translation symmetry. If you need only the structures with the property, you need to generate...