cclib-svn

[cclib-svn] SF.net SVN: cclib:[945] trunk/data/ORCA

[<ate...@us...>]

Revision: 945
          http://cclib.svn.sourceforge.net/cclib/?rev=945&view=rev
Author:   atenderholt
Date:     2011-04-04 16:30:20 +0000 (Mon, 04 Apr 2011)

Log Message:
-----------
ORCA data files: adding some test files (gopt, sp, sp_un, td, ir, raman) for ORCA 2.8 provided by Xaver

Added Paths:
-----------
    trunk/data/ORCA/basicORCA2.8/
    trunk/data/ORCA/basicORCA2.8/dvb_gopt.inp
    trunk/data/ORCA/basicORCA2.8/dvb_gopt.out
    trunk/data/ORCA/basicORCA2.8/dvb_ir.inp
    trunk/data/ORCA/basicORCA2.8/dvb_ir.out
    trunk/data/ORCA/basicORCA2.8/dvb_raman.inp
    trunk/data/ORCA/basicORCA2.8/dvb_raman.out
    trunk/data/ORCA/basicORCA2.8/dvb_sp.inp
    trunk/data/ORCA/basicORCA2.8/dvb_sp.out
    trunk/data/ORCA/basicORCA2.8/dvb_sp_un.inp
    trunk/data/ORCA/basicORCA2.8/dvb_sp_un.out
    trunk/data/ORCA/basicORCA2.8/dvb_td.inp
    trunk/data/ORCA/basicORCA2.8/dvb_td.out


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[cclib-svn] SF.net SVN: cclib:[973] trunk/data/ORCA

[<ate...@us...>]

Revision: 973
          http://cclib.svn.sourceforge.net/cclib/?rev=973&view=rev
Author:   atenderholt
Date:     2012-07-14 01:26:38 +0000 (Sat, 14 Jul 2012)
Log Message:
-----------
ORCA: adding basic files for version 2.9

* Only sp, sp_un, gopt, and td for now. The raman and ir calculations
  are still running.

Added Paths:
-----------
    trunk/data/ORCA/basicORCA2.9/
    trunk/data/ORCA/basicORCA2.9/dvb_gopt.inp
    trunk/data/ORCA/basicORCA2.9/dvb_gopt.out
    trunk/data/ORCA/basicORCA2.9/dvb_sp.inp
    trunk/data/ORCA/basicORCA2.9/dvb_sp.out
    trunk/data/ORCA/basicORCA2.9/dvb_sp_un.inp
    trunk/data/ORCA/basicORCA2.9/dvb_sp_un.out
    trunk/data/ORCA/basicORCA2.9/dvb_td.inp
    trunk/data/ORCA/basicORCA2.9/dvb_td.out

This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.