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molscat
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README,
README.jkl,
README.v12,
dblas.f,
dblas.f.Z,
dcs_save.f,
diag_eispack.f,
ghm_save.f,
ghm_subs.f,
ghm_vib.f,
ident2disting.f,
lapack.f,
lapack.f.Z,
prbr_save.f,
prbr_vib.f,
read_isigu.f,
restrt.v12.f,
sbe.doc,
sbe_save.f,
sig_save.f,
spline.f,
syminv.f,
test1.input,
test1.v12.out,
test1.v14.out,
test2.input,
test2.v12.out,
test2.v14.out,
test3.f,
test3.input,
test3.v12.input,
test3.v12.out,
test3.v14.out,
test5.f,
test5.input,
test5.v12.out,
test5.v14.out,
test6.input,
test6.v12.out,
test6.v14.out,
test8.input,
test8.v12.out,
test8.v14.out,
timers.f,
timers_c.c,
v12.f,
v14.doc.tar,
v14.f,
v14.f.Z,
version_12.doc,
version_14.doc,
version_14.tutorial,
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From chemistry-request@ccl.net Sat Mar 4 14:14:10 1995
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by www.ccl.net (8.6.10/930601.1506) id OAA29500; Sat, 4 Mar 1995 14:10:48 -0500
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Date: Sat, 04 Mar 95 13:32:37 EST
From: Sheldon Green
Subject: CCL:nonreactive molecular dynamics code (MOLSCAT)
To: chemistry@ccl.net
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Sender: Computational Chemistry List
Errors-To: ccl@ccl.net
Precedence: bulk
Status: RO
MOLSCAT is a code for quantum mechanical (coupled channel) solution
of the nonreactive molecular scattering problem. It is developed
and maintained jointly by myself and Jeremy Hutson. The current
code is Version 14. Code is in near standard FORTRAN 77 and
has been ported successfully to many hardware platforms. It is
reasonably well documented and test input/output files are provided.
The code is freely available for distribution via anonymous ftp or
-- with a much friendlier user interface -- via the World Wide Web.
Anonymous ftp files are at molscat.giss.nasa.gov in directory
pub/molscat. The Web URL is http://molscat.giss.nasa.gov/MOLSCAT/
The Web site also has a user tutorial and full documentation, both
available in hypertext mark-up language.
Any problems or questions can be directed to Sheldon Green,
agxsg@giss.nasa.gov
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