2.12. Fast unit conversion functions¶
Nearly all the functions in this module have been speeduped by Numba package,
which means they are fast, but the input argument must be of type float.
-
qha.unit_conversion.j_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit joule to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_j(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to joule.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.gpa_to_megabar(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit gigapascal to megabar.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.megabar_to_gpa(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit megabar to gigapascal.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.b3_to_a3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit cubic bohr radius to what in cubic angstrom.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.a3_to_b3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit cubic angstrom to what in cubic bohr radius.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ry_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit rydberg to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_ry(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to rydberg.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.j_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit joule to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_j(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to joule.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_hz(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to hertz.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.hz_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hertz to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_k(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to kelvin.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.k_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit kelvin to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_m_inverse(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to \(\text{m}^{-1}\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.m_inverse_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\text{m}^{-1}\) to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.eh_to_cm_inverse(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit hartree to \(\text{cm}^{-1}\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.cm_inverse_to_eh(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\text{cm}^{-1}\) to hartree.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_m_inverse(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to \(\text{m}^{-1}\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.m_inverse_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\text{m}^{-1}\) to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_cm_inverse(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to \(\text{cm}^{-1}\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.cm_inverse_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\text{cm}^{-1}\) to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_to_k(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit electronvolt to kelvin.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.k_to_ev(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit kelvin to electronvolt.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ry_to_j(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit rydberg to joule.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.j_to_ry(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit joule to rydberg.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.gpa_to_ev_a3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit gigapascal to \(\frac{ \text{electronvolt} }{ \text{angstrom}^3 }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_a3_to_gpa(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\frac{ \text{electronvolt} }{ \text{angstrom}^3 }\) to gigapascal.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.gpa_to_ry_b3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit gigapascal to \(\frac{ \text{rydberg} }{ \text{bohr radius}^3 }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ry_b3_to_gpa(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\frac{ \text{rydberg} }{ \text{bohr radius}^3 }\) to gigapascal.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.gpa_to_ha_b3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit gigapascal to \(\frac{ \text{hartree} }{ \text{bohr radius}^3 }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ha_b3_to_gpa(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\frac{ \text{hartree} }{ \text{bohr radius}^3 }\) to gigapascal.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ev_b3_to_gpa(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit \(\frac{ \text{electronvolt} }{ \text{bohr radius}^3 }\) to gigapascal.
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.gpa_to_ev_b3(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value in unit gigapascal to \(\frac{ \text{electronvolt} }{ \text{bohr radius}^3 }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ry_b_to_ev_a(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ The atomic force. Convert the value in unit \(\frac{ \text{rydberg} }{ \text{bohr radius} }\) to \(\frac{ \text{electronvolt} }{ \text{angstrom} }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ha_b_to_ev_a(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ The atomic force. Convert the value in unit \(\frac{ \text{hartree} }{ \text{bohr radius} }\) to \(\frac{ \text{electronvolt} }{ \text{angstrom} }\).
- Parameters
value – The value to be converted.
- Returns
The converted value.
-
qha.unit_conversion.ry_to_kj_mol(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value is in unit Rydberg, the converted value is in unit \(\frac{ \text{k J} }{ \text{mol} }\).
- Parameters
value – The value to be converted.
- Returns
the converted value.
-
qha.unit_conversion.ry_to_j_mol(x, /, out=None, *, where=True, casting='same_kind', order='K', dtype=None, subok=True[, signature, extobj])¶ Convert the value is in unit Rydberg, the converted value is in unit \(\frac{ \text{k J} }{ \text{mol} }\).
- Parameters
value – The value to be converted.
- Returns
the converted value.