[WIP] Add auto_ncl to VaspJob
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Allows Custodian to more easily work with non-collinear VASP.
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| executable or with "gamma" replacing "std" in the name of | ||
| the VASP executable (typical setup in many systems). If so, run the |
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@mkhorton: I think this is very smart to do, seeing as VASP ships it this way (and not with .gamma). I don't see the change made to the source code though, so if that's the case, just a head's up!
| to the last argument of the standard vasp_cmd. | ||
| ncl_vasp_cmd (str): Command for non-collinear vasp version when | ||
| auto_ncl is True. Should follow the list style of subprocess. | ||
| Defaults to none, which means "ncl" will replace "std" in |
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VASP ships as vasp_ncl so that should probably be what is used.
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Allows Custodian to more easily work with non-collinear VASP.
Opening in draft, still WIP, needs tests.