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Fix typos
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gmatteo committed Jan 12, 2025
1 parent 96ffcff commit 3b4d48b
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Showing 2 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions abipy/dfpt/phonons.py
Original file line number Diff line number Diff line change
Expand Up @@ -3284,12 +3284,12 @@ def idos(self):
return self.integral()

@lazy_property
def zero_point_energy(self):
def zero_point_energy(self) -> Energy:
"""Zero point energy in eV per unit cell."""
iw0 = self.iw0
return Energy(0.5 * np.trapz(self.mesh[iw0:] * self.values[iw0:], x=self.mesh[iw0:]), "eV")

def plot_dos_idos(self, ax, what="d", exchange_xy=False, units="eV", **kwargs):
def plot_dos_idos(self, ax, what="d", exchange_xy=False, units="eV", **kwargs) -> list:
"""
Helper function to plot DOS/IDOS on the axis ``ax``.
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4 changes: 2 additions & 2 deletions abipy/flowtk/zsisa.py
Original file line number Diff line number Diff line change
Expand Up @@ -270,12 +270,12 @@ def _on_ok(self):
cart_therm_stress = zsisa.get_cart_thermal_stress(relaxed_structure, self.temperature, self.pressure_gpa)
converged = np.all(np.abs(cart_therm_stress - gsr.cart_stress_tensor)) < tol_gpa

thermal_hist["history"].append(dict
thermal_hist["history"].append(dict(
structure=relaxed_structure,
cart_therm_stress=cart_therm_stress,
cart_bo_stress=gsr.cart_stress_tensor,
converged=converged,
)
))

mjson_write(thermal_hist, json_path, indent=4)

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