Fix repo.

usnistgov · Sep 5, 2024 · ef1b383 · ef1b383
1 parent 34223a2
commit ef1b383
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Showing 2 changed files with 19 additions and 2 deletions.
diff --git a/jarvis/core/atoms.py b/jarvis/core/atoms.py
@@ -1776,16 +1776,19 @@ def make_supercell_matrix(self, scaling_matrix):
 
         new_sites = []
         new_elements = []
-        for site, el in zip(self.cart_coords, self.elements):
+        new_props = []
+        for site, el, p in zip(self.cart_coords, self.elements, self.props):
             for v in c_lat:
                 new_elements.append(el)
                 tmp = site + v
                 new_sites.append(tmp)
+                new_props.append(p)
         return Atoms(
             lattice_mat=new_lattice.lattice(),
             elements=new_elements,
             coords=new_sites,
             cartesian=True,
+            props=new_props,
         )
 
     def make_supercell(self, dim=[2, 2, 2]):

diff --git a/jarvis/db/figshare.py b/jarvis/db/figshare.py
@@ -328,7 +328,21 @@ def get_db_info():
             "https://figshare.com/ndownloader/files/40750811",
             "vacancydb.json",
             "Obtaining vacancy dataset 464...",
-            "https://arxiv.org/abs/2205.08366",
+            "https://doi.org/10.1063/5.0135382",
+        ],
+        # https://doi.org/10.6084/m9.figshare.25832614
+        "surfacedb": [
+            "https://figshare.com/ndownloader/files/46355689",
+            "surface_db_dd.json",
+            "Obtaining vacancy dataset 607...",
+            "https://doi.org/10.1039/D4DD00031E",
+        ],
+        # https://doi.org/10.6084/m9.figshare.25832614
+        "interfacedb": [
+            "https://figshare.com/ndownloader/files/46355692",
+            "interface_db_dd.json",
+            "Obtaining vacancy dataset 607...",
+            "https://doi.org/10.1039/D4DD00031E",
         ],
         # Contains repeats
         # https://doi.org/10.6084/m9.figshare.23206193