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Merge branch 'dev'
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Ionizing committed Dec 9, 2024
2 parents 81a249d + 6684fe7 commit 0ab8ade
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1 change: 1 addition & 0 deletions src/commands/modelnac.rs
Original file line number Diff line number Diff line change
Expand Up @@ -184,6 +184,7 @@ I suggest providing `gamma_half` argument to avoid confusion.");
}

let proj = procar.pdos.projected.slice(na::s![.., ikpoint-1, brange[0]-1 .. brange[1], .., ..]).to_owned();
let proj = na::stack(na::Axis(0), &vec![proj.view(); nsw])?;

info!("Saving to {:?}", &self.h5out);

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