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#4746 added JSON serialization for Crystal API components like types, methods, constants etc.
The implementation uses custom `#to_json` methods to extract the data from the compiler models.
Howeve…
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The new crystal library can be expanded using the two attached libraries. I will investigate what devices to add to the library.
Xtal_1.Lib are models created from textbook data
Xtal_2.Lib are man…
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Would it be possible to get extra (cosmetic) options added to the pool of Eidolons?
Some examples (the ones I can think of) -
Lilitu (medium instead of small)
Demon Lord Aspects (demon lord mo…
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I'm doing a lot of simulations, and have heavy issues with simulation time and memory. I can solve the time issue (put everything into joblib and run simulations in parallel), but this lib uses insane…
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As pointed out during a seminar today, there is really no need to spend a huge amount of CPU time in single crystal models at very high neutron energies. We should consider a generic cutoff value (e.g…
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Dear Yang Zhong,
According to your recent work on the universal Hamiltonmain model, the model involves multiple elements. However, it seems that some elements included in the work don't have the ba…
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Hello! Due to modeling needs, I need a reasonable orthogonal CSH model, but the model generated by pyCSH is a triclinic crystal model, I tried some orthogonalization methods, but the simulation still …
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E.g. `A71EV2A` crystal `0515` has several ligands modelled at residue index `201`. In the crystallographic PDB files they have the alternative site codes `A` and `B` to differentiate between the two m…