equilibrate_tp() function in equilibrate will stuck with some major elements
Hi,
When I try to run the code below, equilibrate_tp() function looks like was stuck and no intention of stopping, so I had to interrupt it. But when I try other major elements, it worked well. So I think the problem is about the init_major
below.
import operator
import matplotlib.pyplot as plt
import numpy as np
from thermoengine import equilibrate
melts = equilibrate.MELTSmodel(version='5.6.1')
init_major = {'SiO2': 47.9,
'TiO2': 0.91,
'Al2O3': 18.4,
'Fe2O3': 3.9,
'Cr2O3': 0,
'FeO': 4.1,
'MnO': 0.21,
'MgO': 3.7,
'NiO': 0,
'CoO': 0,
'CaO': 6.1,
'Na2O': 4.3,
'K2O': 4.0,
'P2O5': 0.81,
'H2O': 3.8}
ele_comp = melts.set_bulk_composition(init_major)
t_range = np.arange(1700, 799, -10)
output = melts.equilibrate_tp(t_range, 2000.0, initialize=False)
(status, t, p, xmlout) = output[0]
print (status, t, p)