small changes

m3g · Sep 30, 2024 · 93f1a35 · 93f1a35
1 parent a0f34e2
commit 93f1a35
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Showing 2 changed files with 4 additions and 5 deletions.
diff --git a/Project.toml b/Project.toml
@@ -23,7 +23,6 @@ ForwardDiff = "0.10"
 NativeFileDialog = "0.2.1"
 PDBTools = "1.5.1"
 Packmol_jll = "20"
-Parameters = "0.12"
 Random = "1.9"
 SPGBox = "0.5, 0.6, 0.7"
 StaticArrays = "1"

diff --git a/src/constraints/boxes.jl b/src/constraints/boxes.jl
@@ -12,16 +12,16 @@ weight_default[:box] = 5.0
 #
 function orthogonal_wall(::Type{Inside}, center, side, weight, x)
     xc = x - center
-    if xc > side / 2 || xc < -side / 2
-        return weight * (xc - side / 2)^2
-    else
+    if -side / 2 < xc < side / 2
         return zero(x)
+    else
+        return weight * (xc - side / 2)^2
     end
 end
 
 function orthogonal_wall(::Type{Outside}, center, side, weight, x)
     xc = x - center
-    if xc < side / 2 && xc > -side / 2
+    if -side / 2 < xc < side / 2
         return weight * (xc - side / 2)^2
     else
         return zero(x)