[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

gbasis/evals/density.py

@@ -66,10 +66,10 @@ def evaluate_density(one_density_matrix, basis, points, transform=None):
  r"""Return the density of the given basis set at the given points.
 
  .. math::
- 
+
  \rho(\mathbf{r}_n) = \sum_{ij} \gamma_{ij} \phi_i(\mathbf{r}_n) \phi_j(\mathbf{r}_n)
- 
- where :math:`\mathbf{r}_n` is the point at which the density is evaluated, :math:`\gamma_{ij}` 
+
+ where :math:`\mathbf{r}_n` is the point at which the density is evaluated, :math:`\gamma_{ij}`
  is the one-electron density matrix, and :math:`\phi_i` is the :math:`i`-th basis function.
 
  Parameters
@@ -217,7 +217,7 @@ def evaluate_deriv_density(
  \partial x^{L_x - l_x} \partial y^{L_y - l_y} \partial z^{L_z - l_z}
  }
  \end{align}
- 
+
  where :math:`L_x, L_y, L_z` are the orders of the derivative relative to the :math:`x, y, \text{and} z` components,
  respectively.
 

gbasis/evals/electrostatic_potential.py

@@ -25,8 +25,8 @@ def electrostatic_potential(
  - \sum_{ab} \gamma_{ab} \int \phi_a(\mathbf{r}) \frac{1}{|\mathbf{r} - \mathbf{R}_C|} \phi_b(\mathbf{r}) d\mathbf{r}
  \end{align}
 
- where :math:`\mathbf{R}_C` is the coordinate of a unitary point charge, :math:`\mathbf{R}_A` is the 
- coordinate of the nucleus :math:`A`, :math:`Z_A` its charge, and :math:`\gamma_{ab}` is the 
+ where :math:`\mathbf{R}_C` is the coordinate of a unitary point charge, :math:`\mathbf{R}_A` is the
+ coordinate of the nucleus :math:`A`, :math:`Z_A` its charge, and :math:`\gamma_{ab}` is the
  one-electron density matrix.
 
  Parameters

gbasis/integrals/electron_repulsion.py

@@ -211,19 +211,19 @@ def electron_repulsion_integral(
  In the Chemists' notation, the integrals are:
 
  .. math::
- 
+
  \int \phi^*_a(\mathbf{r}_1) \phi_b(\mathbf{r}_1)
  \frac{1}{|\mathbf{r}_1 - \mathbf{r}_2|}
  \phi^*_c(\mathbf{r}_2) \phi_d(\mathbf{r}_2) d\mathbf{r}
- 
+
  And in the Physicists' notation:
 
  .. math::
  \int \phi^*_a(\mathbf{r}_1) \phi^*_b(\mathbf{r}_2)
  \frac{1}{|\mathbf{r}_1 - \mathbf{r}_2|}
  \phi_c(\mathbf{r}_1) \phi_d(\mathbf{r}_2) d\mathbf{r}
 
- where :math:`\mathbf{r}_1` and :math:`\mathbf{r}_2` are the coordinates of the first and 
+ where :math:`\mathbf{r}_1` and :math:`\mathbf{r}_2` are the coordinates of the first and
  second electron.
 
  Parameters

gbasis/integrals/moment.py

@@ -164,7 +164,7 @@ def moment_integral(basis, moment_coord, moment_orders, transform=None):
 
  \int \phi_a (\mathbf{r}) (x - X_C)^{c_x} (y - Y_C)^{c_y} (z - Z_C)^{c_z} \phi_b (\mathbf{r}) d\mathbf{r}
 
- where :math:`X_C`, :math:`Y_C`, and :math:`Z_C` are the coordinates of the center of the moment, and 
+ where :math:`X_C`, :math:`Y_C`, and :math:`Z_C` are the coordinates of the center of the moment, and
  :math:`c_x`, :math:`c_y`, and :math:`c_z` are the orders of the moment.
 
  Parameters

gbasis/integrals/nuclear_electron_attraction.py

@@ -11,7 +11,7 @@ def nuclear_electron_attraction_integral(
  .. math::
 
  \int \phi_a(\mathbf{r}) \frac{-Z_C}{|\mathbf{r} - \mathbf{R}_C|} \phi_b(\mathbf{r}) d\mathbf{r}
- 
+
  where :math:`\mathbf{R}_C` is the coordinate of the nucleus :math:`C` and :math:`Z_C` its charge.
 
  Parameters

gbasis/integrals/overlap.py

@@ -112,7 +112,7 @@ def overlap_integral(basis, transform=None):
  """Return overlap integral of the given basis set.
 
  .. math::
- 
+
  \int \phi_a (\mathbf{r}) \phi_b (\mathbf{r}) d\mathbf{r}
 
  where :math:`\phi_a(\mathbf{r})` and :math:`\phi_b(\mathbf{r})` are the basis functions

gbasis/integrals/overlap_asymm.py

@@ -72,9 +72,9 @@ def overlap_integral_asymmetric(
  """Return overlap integrals between two basis sets.
 
  .. math::
- 
+
  \int \phi_a (\mathbf{r}) \psi_b (\mathbf{r}) d\mathbf{r}
- 
+
  where :math:`\phi_a` and :math:`\psi_b` are the basis functions in `basis_one` and `basis_two`.
 
  Parameters

gbasis/integrals/point_charge.py

@@ -274,7 +274,7 @@ def point_charge_integral(
  .. math::
 
  \int \phi_a(\mathbf{r}) \frac{1}{|\mathbf{r} - \mathbf{R}_C|} \phi_b(\mathbf{r}) d\mathbf{r}
- 
+
  where :math:`\mathbf{R}_C` is the position of the point charge.
 
  Parameters