calculate_displacement -> calc_displacement

wolearyc · Aug 27, 2024 · 7d596d5 · 7d596d5
1 parent 0b9bde9
commit 7d596d5
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/ramannoodle/polarizability/interpolation.py b/ramannoodle/polarizability/interpolation.py
@@ -16,7 +16,7 @@
 
 from ramannoodle.globals import ANSICOLORS
 from ramannoodle.polarizability.abstract import PolarizabilityModel
-from ramannoodle.structure.structure_utils import calculate_displacement
+from ramannoodle.structure.structure_utils import calc_displacement
 from ramannoodle.structure.symmetry_utils import (
     is_orthogonal_to_all,
     is_collinear_with_all,
@@ -200,7 +200,7 @@ def calc_polarizability(
         delta_polarizability: NDArray[np.float64] = np.zeros((3, 3))
         try:
             cart_displacement = self._ref_structure.get_cart_displacement(
-                calculate_displacement(positions, self._ref_structure.positions)
+                calc_displacement(positions, self._ref_structure.positions)
             )
 
             for basis_vector, interpolation, mask in zip(
@@ -536,7 +536,7 @@ def _read_dof(
                 polarizability = np.zeros((3, 3))
 
             try:
-                displacement = calculate_displacement(
+                displacement = calc_displacement(
                     positions,
                     self._ref_structure.positions,
                 )

diff --git a/ramannoodle/structure/reference.py b/ramannoodle/structure/reference.py
@@ -17,7 +17,7 @@
     displace_positions,
     transform_positions,
     apply_pbc_displacement,
-    calculate_displacement,
+    calc_displacement,
 )
 from ramannoodle.globals import ATOM_SYMBOLS
 from ramannoodle.structure import symmetry_utils
@@ -205,7 +205,7 @@ def get_equivalent_displacements(
                 ref_positions, rotation, translation
             )
             candidate_positions = permutation_matrix @ candidate_positions
-            candidate_displacement = calculate_displacement(
+            candidate_displacement = calc_displacement(
                 candidate_positions, self._positions
             )
 

diff --git a/ramannoodle/structure/structure_utils.py b/ramannoodle/structure/structure_utils.py
@@ -105,7 +105,7 @@ def transform_positions(
     return displace_positions(rotated, translation)
 
 
-def calculate_displacement(
+def calc_displacement(
     positions_1: NDArray[np.float64],
     positions_2: NDArray[np.float64],
 ) -> NDArray[np.float64]: