pyxdh: return engine to xcfun, try to trigger travis-CI build and see…

… failed or not.
ajz34 · Feb 25, 2021 · 3904f30 · 3904f30
1 parent 07619eb
commit 3904f30
Show file tree

Hide file tree

Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/pyxdh/Utilities/grid_helper.py b/pyxdh/Utilities/grid_helper.py
@@ -15,7 +15,7 @@
 
 class GridHelperLegacy:
 
-    def __init__(self, mol, grids, D, engine="libxc"):
+    def __init__(self, mol, grids, D, engine="xcfun"):
         # warnings.warn("GridHelper is considered memory consuming!")
 
         # Initialization Parameters

diff --git a/pyxdh/Utilities/grid_iterator.py b/pyxdh/Utilities/grid_iterator.py
@@ -11,7 +11,7 @@
 
 class GridIterator:
 
-    def __init__(self, mol, grids, D, deriv=3, memory=2000, engine="libxc"):
+    def __init__(self, mol, grids, D, deriv=3, memory=2000, engine="xcfun"):
 
         self.mol = mol  # type: gto.Mole
         self.grids = grids  # type: dft.Grids