lightweaver 0.15.0__cp310-cp310-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl

lightweaver/Data/DefaultMolecules/CO.molecule

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+# <<One-line molecular model description>>
+  CO
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  C, O
+
+# Ediss [eV]
+  11.091
+
+# Fit type for partion function and equilibrium constant
+  KURUCZ_85
+
+# Tmin  and Tmax [K]
+  1.0E+3  12.0E+3
+
+# pf_coef
+  7   4.51349  18.4221  -50.0599  102.208  -128.504  87.8414  -24.8533
+
+# eqc_coef
+  6  -49.0414  14.0306  -26.6341  35.3827  -26.5424  8.32385
+
+# Filename with line data (Pick one)
+
+##  ../../Molecules/CO/goorvitch.dv1_26
+##  ../../Molecules/CO/vmax=9_Jmax=120_dv=1_26
+
+## end

lightweaver/Data/DefaultMolecules/CO_NLTE.molecule

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+# <<One-line molecular model description>>
+  CO
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  C, O
+
+# Ediss [eV]
+  11.091
+
+# Fit type for partion function and equilibrium constant
+  KURUCZ_85
+
+# Tmin  and Tmax [K]
+  1.0E+3  12.0E+3
+
+# pf_coef
+  7   4.51349  18.4221  -50.0599  102.208  -128.504  87.8414  -24.8533
+
+# eqc_coef
+  6  -49.0414  14.0306  -26.6341  35.3827  -26.5424  8.32385
+
+# Filename with line data
+
+  ../../Molecules/CO/vmax=9_Jmax=120_dv=1_26
+
+## end

lightweaver/Data/DefaultMolecules/CaH.molecule

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+# <<One-line molecular model description>>
+  CAH
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  Ca, H
+
+# Ediss [eV]
+  1.7000
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4   3.8411  -2.3891   1.3578  -0.6893
+
+# eqc_coef
+  5   9.1952  -0.8802  1.1610  -2.5221   1.3514
+
+# Filenames with line data
+
+# /home/uitenbr/src/rh_v2/Molecules/CaH/cah.asc
+
+## end

lightweaver/Data/DefaultMolecules/H2+.molecule

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+# <<One-line molecular model description>>
+  H2+
+
+# Charge
+  1
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  2H
+
+# Ediss [eV]
+  -10.948
+
+# Fit type for partion function and equilibrium constant
+  KURUCZ_70
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  0 
+
+# eqc_coef
+  5  -9.2120E+00 1.9386E-03 -4.7676E-07 7.4004E-11 -4.5518E-15
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/H2.molecule

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+# <<One-line molecular model description>>
+  H2
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  2H
+
+# Ediss [eV]
+  4.478
+
+# Fit type for partion function and equilibrium constant
+  KURUCZ_85
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  7   0.582145  16.3760  -49.4684  112.049  -149.953  106.531  -30.9791
+
+# eqc_coef
+  7  -46.4584  16.3660  -49.3992  111.822  -149.567  106.206  -30.8720
+
+# Filenames with line data
+## ../../Molecules/H2/H2_X-B.DAT
+## end

lightweaver/Data/DefaultMolecules/H2O.molecule

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+# <<One-line molecular model description>>
+  H2O
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  2H, O
+
+# Ediss [eV]
+  9.512
+
+# Fit type for partition function and equilibrium constant
+  KURUCZ_70
+
+# Tmin  and Tmax [K]
+  1.0E+3  6.0E+3
+
+# pf_coef
+  0
+
+# eqc_coef
+  5   -9.3179E+01   2.6725E-03   -5.7830E-07   8.5268E-11  -5.1311E-15
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/HF.molecule

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+# <<One-line molecular model description>>
+  HF
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  H, F
+
+# Ediss [eV]
+  5.869
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4    2.4164   -1.6132   0.6357   -0.1767
+
+# eqc_coef
+  3   11.2835   -0.9228   -0.5642
+
+# Filenames with line data
+
+## /home/uitenbr/src/rh_v2/Molecules/HF/HF_X-X.asc
+ /Users/uitenbr/Source/rh_v2/Molecules/HF/HF_X-X.zeeman
+## end

lightweaver/Data/DefaultMolecules/LiH.molecule

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+# <<One-line molecular model description>>
+  LIH
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  Li, H
+
+# Ediss [eV]
+  2.4287
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4   3.2564  -2.1799   0.7236  -0.1052
+
+# eqc_coef
+  5   9.9506  -0.5163   0.1833  -1.7211   1.2805
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/MgH.molecule

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+# <<One-line molecular model description>>
+  MGH
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  Mg, H
+
+# Ediss [eV]
+  1.3400
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+##  IRWIN_81
+
+# Tmin  and Tmax [K]
+  1.0E+3  15.0E+3
+
+# pf_coef  SAUVAL & TATUM 84
+  4   3.6704  -2.2682   0.9354  -0.2597
+
+# pf_coef  IRWIN 81
+##  6  -2.53112027E+02  1.72996315E+02  -4.65953970E+01  6.25577718E+00  -4.16915792E-01  1.10889210E-02
+
+# eqc_coef
+  5   9.2846  -0.3587  -0.1220  -1.5627   1.3047
+
+# Filenames with line data
+
+# /home/uitenbr/src/rh_v2/Molecules/MgH/MgH_X-A.asc
+# /home/uitenbr/src/rh_v2/Molecules/MgH/MgH_X-B.asc
+
+## end

lightweaver/Data/DefaultMolecules/N2.molecule

@@ -0,0 +1,28 @@
+# <<One-line molecular model description>>
+  N2
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  2N
+
+# Ediss [eV]
+  9.7594
+
+# Fit type for partition function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3    9.0E+3
+
+# pf_coef
+  3    3.2643   -1.7303    0.4192
+
+# eqc_coef
+  5   11.8838   -0.8915    0.2929   -1.4220   0.9007
+
+# Filenames with line data
+
+## end
+

lightweaver/Data/DefaultMolecules/NH.molecule

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+# <<One-line molecular model description>>
+  NH
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  N, H
+
+# Ediss [eV]
+  3.470
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4    3.0735   -1.8501    0.9607   -0.3935
+
+# eqc_coef
+  3   10.4609   -0.7387   -0.5713
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/NO.molecule

@@ -0,0 +1,27 @@
+# <<One-line molecular model description>>
+  NO
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  N, O
+
+# Ediss [eV]
+  6.4968
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  3    4.3073   -1.8255    0.3765
+
+# eqc_coef
+  4   11.2253   -0.8143    0.0446   -0.4529
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/O2.molecule

@@ -0,0 +1,27 @@
+# <<One-line molecular model description>>
+  O2
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  2O
+
+# Ediss [eV]
+  5.1156
+
+# Fit type for partition function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3    9.0E+3
+
+# pf_coef
+  4    4.0636   -2.0779    0.7660   -0.2111
+
+# eqc_coef
+  3   11.8558   -0.5309   -0.6214
+
+# Filenames with line data
+
+## end

lightweaver/Data/DefaultMolecules/OH.molecule

@@ -0,0 +1,27 @@
+# <<One-line molecular model description>>
+  OH
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  O, H
+
+# Ediss [eV]
+  4.392 
+
+# Fit type for partition function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4    3.0929   -1.6778    0.6743   -0.1874
+
+# eqc_coef
+  3   10.7881   -0.8762   -0.5436
+
+# Filenames with line data
+##  /home/uitenbr/src/rh_v2/Molecules/OH/OH_X-X_1565.zeeman
+## end

lightweaver/Data/DefaultMolecules/SiO.molecule

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+# <<One-line molecular model description>>
+  SiO
+
+# Charge
+  0
+
+# Constituent elements
+  SI, O
+
+# Ediss [eV]
+  8.26
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  5    4.2275  -1.9144   0.7201  -1.3099   1.1657
+
+# eqc_coef
+  5   11.8772  -0.8349  -0.5248   1.1271  -1.1984
+
+# Filenames with line data
+## end

lightweaver/Data/DefaultMolecules/TiO.molecule

@@ -0,0 +1,30 @@
+# <<One-line molecular model description>>
+  TiO
+
+# Charge
+  0
+
+# List of constituent atoms of the form nA, mB, pC for molecule AmBnCp
+  TI, O
+
+# Ediss [eV]
+  6.87
+
+# Fit type for partion function and equilibrium constant
+  SAUVAL_TATUM_84
+
+# Tmin  and Tmax [K]
+  1.0E+3  9.0E+3
+
+# pf_coef
+  4    5.3051  -2.3739   0.8940  -0.3641
+
+# eqc_coef
+  4   11.4047  -1.1484   0.6478  -0.6737
+
+# Filenames with line data
+##  ../../Molecules/TiO/TiO_schwenke_5379-5381.asc
+##  ../../Molecules/TiO/TiO_schwenke_5575-5577.asc
+  ../../Molecules/TiO/TiO_schwenke_7089_7092.asc
+
+## end

lightweaver/__init__.py

@@ -0,0 +1,33 @@
+from .atmosphere import (Atmosphere, BoundaryCondition, Layout, NoBc,
+                         PeriodicRadiation, ScaleType, Stratifications,
+                         ThermalisedRadiation, ZeroRadiation)
+from .atomic_model import reconfigure_atom
+from .atomic_set import (RadiativeSet, SpectrumConfiguration, hminus_pops,
+                         lte_pops)
+from .atomic_table import (AtomicAbundance, DefaultAtomicAbundance, Element,
+                           Isotope, KuruczPfTable, PeriodicTable)
+from .benchmark import benchmark
+from .config import params as ConfigDict
+from .constants import *
+from .iterate_ctx import (ConvergenceCriteria, DefaultConvergenceCriteria,
+                          iterate_ctx_se)
+from .iteration_update import IterationUpdate
+from .LwCompiled import LwContext
+from .molecule import MolecularTable
+from .multi import read_multi_atmos
+from .nr_update import nr_post_update
+from .utils import (ConvergenceError, CrswIterator, ExplodingMatrixError,
+                    InitialSolution, NgOptions, UnityCrswIterator, air_to_vac,
+                    compute_contribution_fn, compute_height_edges,
+                    compute_radiative_losses, compute_wavelength_edges,
+                    convert_specific_intensity, gaunt_bf, get_data_path,
+                    get_default_molecule_path, integrate_line_losses, planck,
+                    vac_to_air, voigt_H)
+from .version import version as __version__
+
+
+# NOTE(cmo): This is here to make it easier to retroactively monkeypatch
+class Context(LwContext):
+    pass
+
+setattr(Context, 'nr_post_update', nr_post_update)