Fix some typos

CHANGELOG.md

@@ -6,7 +6,7 @@ dev
 - New features
    - Stabilized Fermi smearing!
 - Updated docs
-   - Restyle many pages
+   - Restyle many documentation pages
    - Add a citation page
    - Add an overview page with a workflow example
    - Add a smearing example

eminus/atoms.py

@@ -121,7 +121,7 @@ def ecut(self):
     @ecut.setter
     def ecut(self, value):
         self._ecut = value
-        # Caclulate the sampling from the cut-off energy
+        # Calculate the sampling from the cut-off energy
         s = np.int64(norm(self.a, axis=0) / cutoff2gridspacing(value))
         # Multiply by two and add one to match PWDFT.jl
         s = 2 * s + 1
@@ -444,7 +444,7 @@ def _sample_unit_cell(self):
         # Calculate the structure factor per atom
         self._Sf = np.exp(1j * self.G @ self.pos.T).T
 
-        # Create the grid used for the non-wavefunction fields and append it to the end
+        # Create the grid used for the non-wave function fields and append it to the end
         self._active.append(np.nonzero(2 * self.ecut >= self._G2))
         self._Gk2 = np.vstack((self._Gk2, self._G2))
         self._Gk2c.append(self._G2c)

eminus/io/xyz.py

@@ -66,7 +66,7 @@ def write_xyz(obj, filename, fods=None, elec_symbols=('X', 'He'), trajectory=Fal
     """
     atoms = obj._atoms
 
-    # The trajectory write calles this function
+    # The trajectory write calls this function
     if not filename.endswith(('.xyz', '.trj', '.traj')):
         filename += '.xyz'
 

eminus/xc/lda_c_pw.py

@@ -70,7 +70,7 @@ def lda_c_pw_spin(n, zeta, A=(0.031091, 0.015545, 0.016887), fzeta0=1.709921, **
     ec0, vc0, _ = lda_c_pw(n, A[0], a1[0], b1[0], b2[0], b3[0], b4[0])  # Unpolarized
     ec1, vc1, _ = lda_c_pw(n, A[1], a1[1], b1[1], b2[1], b3[1], b4[1])  # Polarized
     ac, dac, _ = lda_c_pw(n, A[2], a1[2], b1[2], b2[2], b3[2], b4[2])   # Spin stiffness
-    ac = -ac  # The PW spin interpolation parametrizes -ac instead of ac
+    ac = -ac  # The PW spin interpolation is parametrized with -ac instead of ac
 
     fzeta = ((1 + zeta)**(4 / 3) + (1 - zeta)**(4 / 3) - 2) / (2**(4 / 3) - 2)
     zeta3 = zeta**3

tests/dft_calculations/test_smearing_polarized.py

@@ -38,7 +38,7 @@ def test_polarized(smearing):
 
 # using PWDFT
 
-# const smearing = [1e-5, 1e-4, 1e-3]
+# const smearing = [1e-4, 1e-3]
 # const psp_path = joinpath(dirname(pathof(PWDFT)), "..", "pseudopotentials", "pade_gth")
 # const psp = [joinpath(psp_path, "Li-q3.gth")]