Generating a triples.dat file

Yufeng-shen / TJ2GBE

Reconstruct grain boundary energy from triple junction geometries

BSD 3-Clause "New" or "Revised" License

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Generating a triples.dat file #3

Closed sgbaird closed 3 years ago

sgbaird commented 3 years ago

Reconstruction.py states that triples.dat is produced from a fortran program Torq_trn.

The README here describes that 'triples.dat' is produced via 'Torq_gen.exe', however this executable isn't in the directory that the README file is in. I see torq_rec and torq_trn_ev, but can't seem to find "Torq_gen" or even "Torq_trn". Am I just missing it from somewhere in those directories, is it under a different filename, or is it somewhere else?

Yufeng-shen commented 3 years ago

I will add the Torq_gen and other dependencies in this repository, so that users can generate the simulated triples.dat by themselves.

sgbaird commented 3 years ago

That would be great. Thank you!