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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 (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) 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:
FileName Lrecl Records Explanations
ReadMe 80 . This file exe/* 0 2 executable and new manual input/* 0 31 iso, nsteps, HITRAN line list with external broadening manual/* 0 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
See also: www.exomol.com : ExoMol Homne Page History: Copied at https://github.com/Trovemaster/exocross
(End) Patricia Vannier [CDS] 26-Jun-2018
The document above follows the rules of the Standard Description for Astronomical Catalogues.From this documentation it is possible to generate f77 program to load files into arrays or line by line

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