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Reading/writing orbitals to/from file #75

Merged
merged 9 commits into from
Mar 24, 2021
Merged

Reading/writing orbitals to/from file #75

merged 9 commits into from
Mar 24, 2021

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jagot
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@jagot jagot commented Mar 13, 2021

WIP, still remains to read/write spin-orbitals and configurations
from/to files, as well as reading from/writing to text files

@jagot jagot force-pushed the orbitals branch 2 times, most recently from 3047d4a to fba77b7 Compare March 15, 2021 08:46
@jagot jagot changed the title String macros for spin-orbitals; reading/writing orbitals Reading/writing orbitals to/from file Mar 16, 2021
test/orbitals.jl Outdated Show resolved Hide resolved
@jagot jagot force-pushed the orbitals branch 2 times, most recently from e445c7a to 3d6de3b Compare March 23, 2021 18:43
@jagot jagot force-pushed the orbitals branch 2 times, most recently from 3187682 to 8880e36 Compare March 24, 2021 09:25
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jagot commented Mar 24, 2021

I think I'm happy with this now; it is not possible to read orbitals or configurations directly from a text file without specifying which kind we expect, i.e. we don't have a magic method read_orbital(s::AbstractString), but rather one has to explicitly parse(Orbital, s) or parse(SpinConfiguration{SpinOrbital{RelativisticOrbital}}, s).

@jagot jagot merged commit 17ab948 into master Mar 24, 2021
@jagot jagot deleted the orbitals branch March 24, 2021 11:41
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2 participants