def v2p(self, func_of_t_v: numpy.ndarray) -> numpy.ndarray:
'''The conversion function from :math:`(T, V)` to :math:`(T, P)` grid
.. math::
f(T, V) \\rightarrow f(T, P)
:param func_of_t_v: the input function :math:`f(T, V)` under the :math:`(T, V)` grid
:returns: the output function :math:`f(T, P)` under the :math:`(T, P)` grid
'''
return v2p(func_of_t_v,
self.calculator.qha_calculator.volume_base.pressures,
self.p_array)
def volume(vs: Vector, desired_ps: Vector, ps: Matrix) -> Matrix:
"""
Convert the volumes as a function of temperature and pressure, i.e., on a :math:`(T, P)` grid.
:param vs: A vector of volumes.
:param desired_ps: A vector of desired pressures.
:param ps: A matrix, the pressure as a function of temperature and volume, i.e., :math:`P(T,V)`, in atomic unit.
:return: A matrix, the volume as a function of temperature and pressure, i.e., :math:`V(T, P)`.
"""
nt, ntv = ps.shape
vs = vs.reshape(1, -1).repeat(nt, axis=0)
return v2p(vs, ps, desired_ps)
def cv_tp_au(self):
return v2p(self.cv_tv_au, self.p_tv_au, self.desired_pressures)
def g_tp_ry(self):
return v2p(self.g_tv_ry, self.p_tv_au, self.desired_pressures)
def v2p1d(x_old: numpy.array, p_old: numpy.array, p_new: numpy.array):
from numpy import newaxis as nax
return v2p(x_old[nax, ::-1], p_old[nax, ::-1], p_new)[0]