J/A+A/614/A131 EXOCROSS code for molecular line lists spectra (Yurchenko+, 2018)
EXOCROSS: a general program for generating spectra from molecular line lists.
Yurchenko S.N., Al-Refaie A.F., Tennyson J.
<Astron. Astrophys. 614, A131 (2018)>
=2018A&A...614A.131Y 2018A&A...614A.131Y (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - stars: abundances - stars: atmospheres -
line: profiles - infrared: planetary systems - infrared: stars
Abstract:
EXOCROSS is a Fortran code for generating spectra (emission,
absorption) and thermodynamic properties (partition function, specific
heat, etc.) from molecular line lists. Input is taken in several
formats, including ExoMol and HITRAN formats. EXOCROSS is efficiently
parallelized showing also a high degree of vectorization. It can work
with several line profiles such as Doppler, Lorentzian and Voigt and
support several broadening schemes. Voigt profiles are handled by
several methods allowing fast and accurate simulations. Two of these
methods are new. EXOCROSS is also capable of working with the recently
proposed method of super-lines. It supports calculations of lifetimes,
cooling functions, specific heats and other properties. EXOCROSS can
be used to convert between different formats, such as HITRAN, ExoMol
and Phoenix. It is capable of simulating non-LTE spectra using a
simple two-temperature approach. Different electronic, vibronic or
vibrational bands can be simulated separately using an efficient
filtering scheme based on the quantum numbers.
Description:
We present a Fortran 2003 program EXOCROSS to compute spectra as well
as spectral properties of molecules using line lists. EXOCROSS is
specifically developed to work with huge molecular line lists such as
those generated as part of our ExoMol project (Tennyson & Yurchenko
2012MNRAS.425...21T 2012MNRAS.425...21T) or similar endeavours (Rey et al., 2016, J. Mol.
Spectr., 327, 138). EXOCROSS takes such line lists as input and
returns pressure- and temperature-dependent cross sections as well a
variety of other derived molecular properties which depend on the
underlying spectroscopic data. These include state-dependent
lifetimes, temperature-dependent cooling functions, and thermodynamic
properties such as partition functions and specific heats.
The EXOCROSS program is available at
https://github.com/Trovemaster/exocross.
Hereafter the 26-Jun-2018, version.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
exe/* . 2 executable and new manual
input/* . 31 iso, nsteps, HITRAN line list with
external broadening
manual/* . 1 Oxford format
LICENSE.txt 78 20 License is added
README.md 92 4 Create README.md
VoigtKampff.f90 137 444 executable and new manual
accuracy.f90 148 65 Lifetime is now correctly implemented
crosssections.f90 51 27 2d commit
input.f90 81 1020 histogram and voigt profiles added
makefile 119 64 makefile
phoenix.f90 131 198 reducing to 132 characters
spectrum.f90 159 4015 Oxford format
timer.f90 114 754 defeault memory to 8 gb and Nram memory
estimate to hik
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See also:
www.exomol.com : ExoMol Homne Page
History:
Copied at https://github.com/Trovemaster/exocross
(End) Patricia Vannier [CDS] 26-Jun-2018