rename vars after merge conflict (#6)

carlosborca · Apr 17, 2024 · ef3ff26 · ef3ff26
1 parent 066388b
commit ef3ff26
Show file tree

Hide file tree

Showing 5 changed files with 3 additions and 122 deletions.
diff --git a/crystalatte/crystalatte.py b/crystalatte/crystalatte.py
@@ -861,9 +861,9 @@ def cif_main(fNameIn, fNameOut, Na, Nb, Nc, monomer_cutoff, nmer_cutoff, make_re
         make_rect_box = True
 
     # Determine the box size.
-    Lx = Nx * La
-    Ly = Ny * Lb
-    Lz = Nz * Lc
+    Lx = Na * La
+    Ly = Nb * Lb
+    Lz = Nc * Lc
 
     for i in range(len(atoms)):
 

diff --git a/loriab/README.md b/loriab/README.md
diff --git a/loriab/acetic_acid_mp2_noaug.cle b/loriab/acetic_acid_mp2_noaug.cle
diff --git a/loriab/cif/acetic_acid.cif b/loriab/cif/acetic_acid.cif
diff --git a/loriab/demo.cle b/loriab/demo.cle