If saving structures via optimize for EoS calculations, only the last one will be saved, as they currently overwrite each other.
Possible solutions include:
The user sets append for minimize_kwargs["write_kwargs"]
We could always set append for minimize_kwargs["write_kwargs"] if minimize_all is True and write_results is True, so after the initial optimized structure is written, the remaining structures are appended.
More generally, we may want to write out all structures even if we're not optimizing, so perhaps an additional native option for eos makes more sense
If saving structures via optimize for EoS calculations, only the last one will be saved, as they currently overwrite each other.
Possible solutions include:
minimize_kwargs["write_kwargs"]minimize_kwargs["write_kwargs"]ifminimize_all is Trueandwrite_results is True, so after the initial optimized structure is written, the remaining structures are appended.