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compute cross sections based on statistical method. by Jérôme Loreau
9 Commits 1 Branch 0 Tags 24 MiB
Fortran 98.5%
Makefile 1.5%
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Guillaume Raffy 4e07b09401 fix to suit mzoltowski's data coming from hibridon 2023-06-06 10:15:25 +02:00
.gitignore fixed indentation to ease debugging 2023-06-05 16:24:27 +02:00
Makefile fixed indentation to ease debugging 2023-06-05 16:24:27 +02:00
cs_adiabats_2.f90 fix to suit mzoltowski's data coming from hibridon 2023-06-06 10:15:25 +02:00
fort.1000 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.1001 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.1002 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.1003 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.1004 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.1005 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2000 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2001 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2002 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2003 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2004 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
fort.2005 new set of inputs with modified code (half working), sent by michal just now 2023-06-05 14:59:53 +02:00
level.dat fixed missing line in input file that cause the program to fail 2023-06-05 15:08:12 +02:00
lvls.dat added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +02:00
readme.md fix to suit mzoltowski's data coming from hibridon 2023-06-06 10:15:25 +02:00

readme.md

cs_adiabats_2 provided by Jérôme Loreau

count adiabats and provide cross sections and rate coefficients for asymetric top-linear molecules

inputs: generated from hibridon's job.eadiab and renamed and adapted fort.<symmetry>00<jtot> : symmetry: up to 4 - 1 first symmetry - 2 second symmetry jtot: total angular momentum number lvls.dat : energy levels of the systems

	31   2   2   2   0   0   136.563
	<index>   <qnum1>   <qnum2>   <dummy1>  <summy2>    <qnum3>    <energy>

	bastst=TRUE
	# J1 IS KP KO J2 Eint(cm-1) Coeffs

outputs: cross____.dat