From 6684fe75ca0553a162307325bb570c25b9b9ab0b Mon Sep 17 00:00:00 2001 From: Ionizing Date: Mon, 9 Dec 2024 11:35:01 +0800 Subject: [PATCH] [modelnac] Bugfix on non-replicated proj --- src/commands/modelnac.rs | 1 + 1 file changed, 1 insertion(+) diff --git a/src/commands/modelnac.rs b/src/commands/modelnac.rs index 9ffd766..408bbfd 100644 --- a/src/commands/modelnac.rs +++ b/src/commands/modelnac.rs @@ -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);