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replace K_T #580

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Mar 24, 2024
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replace K_T #580

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4 changes: 2 additions & 2 deletions burnman/classes/anisotropicmineral.py
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Original file line number Diff line number Diff line change
Expand Up @@ -265,10 +265,10 @@ def set_state(self, pressure, temperature):

self.isotropic_mineral.set_state(pressure, temperature)
V2 = self.isotropic_mineral.V
KT2 = self.isotropic_mineral.K_T
KT2 = self.isotropic_mineral.isothermal_bulk_modulus_reuss
self.isotropic_mineral.set_state_with_volume(V2, self.params["T_0"])
P1 = self.isotropic_mineral.pressure
KT1 = self.isotropic_mineral.K_T
KT1 = self.isotropic_mineral.isothermal_bulk_modulus_reuss
self.dPthdf = KT1 - KT2
self.Pth = pressure - P1

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4 changes: 2 additions & 2 deletions burnman/optimize/eos_fitting.py
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Expand Up @@ -78,7 +78,7 @@ def normal(self, x, flag):

if flag == "V":
self.m.set_state(P, T)
dPdp = -self.m.K_T / self.m.V
dPdp = -self.m.isothermal_bulk_modulus_reuss / self.m.V
dpdT = self.m.alpha * self.m.V
elif flag == "H":
self.m.set_state(P, T)
Expand Down Expand Up @@ -411,7 +411,7 @@ def normal(self, x, flag):

if flag == "V":
self.m.set_state(P, T)
dPdp = -self.m.K_T / self.m.V
dPdp = -self.m.isothermal_bulk_modulus_reuss / self.m.V
dpdT = self.m.alpha * self.m.V
elif flag == "H":
self.m.set_state(P, T)
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4 changes: 3 additions & 1 deletion burnman/tools/equilibration.py
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Expand Up @@ -318,7 +318,9 @@ def jacobian(x, assemblage, equality_constraints, reduced_free_composition_vecto
elif type_c == "V": # dV/dx
# dV/dP = -V/K_T, dV/dT = aV
jacobian[ic, 0:2] = [
-assemblage.n_moles * assemblage.molar_volume / assemblage.K_T,
-assemblage.n_moles
* assemblage.molar_volume
/ assemblage.isothermal_bulk_modulus_reuss,
assemblage.n_moles * assemblage.molar_volume,
]
j = 2
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