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Misc fixes/tweaks#114

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benrich37 merged 3 commits intomasterfrom
ionic_gaussian_potential_forces
Oct 8, 2025
Merged

Misc fixes/tweaks#114
benrich37 merged 3 commits intomasterfrom
ionic_gaussian_potential_forces

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  • Forces from an ionic gaussian potential are now parsed at the JOutStructure level
  • Files indicated in an 'include' tag that cannot be found now raise warnings instead of error, at which point the "failing" include tag will be kept in the params instead of popped after reading the included file
  • StrTag.read no longer case-sensitive when comparing value against self.options

- igp forces (ionic gaussian potential) parsing
- `_collect_generic_line` tweaked to also make sure the next line is not the start of a new section
- Fixed conversion of lattice coordinate forces
…is raised and the include command is kept in the `JDFTXInfile`

-  `StrTag.read` now compares `value` to `self.options` in a case-insensitive manner
@benrich37 benrich37 merged commit f5bbae8 into master Oct 8, 2025
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