fixed some infile outfile business

louisponet · Nov 17, 2020 · 2f0e7dd · 2f0e7dd
1 parent c1a28f8
commit 2f0e7dd
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git a/src/inputAPI.jl b/src/inputAPI.jl
@@ -259,8 +259,9 @@ end
 
 function input_from_kpoints(template::DFInput, newname, kpoints, newflags...)
     newcalc = DFInput(template, newname, newflags...)
-    newcalc.infile = join(newname, ".", splitext(infile(newcalc))[2:end])
-    newcalc.outfile = join(newname, ".", splitext(outfile(newcalc))[2:end])
+    newcalc.infile = newname * splitext(infilename(newcalc))[2]
+    newcalc.outfile = newname * splitext(outfilename(newcalc))[2]
+    @show newcalc.infile
     setkpoints!(newcalc, kpoints, print=false)
     return newcalc
 end

diff --git a/src/structure.jl b/src/structure.jl
@@ -275,7 +275,7 @@ function update_geometry!(str1::AbstractStructure, str2::AbstractStructure)
         if id === nothing
             @error "No atom of the species $(name(at1)) found in the second structure"
         end
-        setposition!(at1, atoms(str2)[id].position_cryst, cell(str1))
+        set_position!(at1, atoms(str2)[id].position_cryst, cell(str1))
     end
 end