graffy
/
crosadiab
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
compute cross sections based on statistical method. by Jérôme Loreau
5 Commits 1 Branch 0 Tags 24 MiB
Fortran 98.5%
Makefile 1.5%
Go to file
Guillaume Raffy 8fb811dd96 fixed np_f=119 because there are 119 lines in fort.<nnnn> files 2023-06-05 14:35:51 +02:00
.gitignore work done on 17/04/2023 2023-06-05 14:19:23 +02:00
Makefile added a makefile 2023-06-05 14:34:48 +02:00
cs_adiabats_2.f fixed np_f=119 because there are 119 lines in fort.<nnnn> files 2023-06-05 14:35:51 +02:00
fort.400 added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +02:00
fort.1000 added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +02:00
fort.1001 added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +02:00
fort.2000 added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +02:00
fort.2001 added the input data tat mzoltowski gave me on 17/04/2023 2023-06-05 14:34:21 +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 work done on 17/04/2023 2023-06-05 14:19:23 +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

ouputs: cross____.dat