cclib-svn

[cclib-svn] SF.net SVN: cclib: [206] trunk/data/GAMESS

[<bao...@us...>]

Revision: 206
Author:   baoilleach
Date:     2006-06-15 07:16:05 -0700 (Thu, 15 Jun 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=206&view=rev

Log Message:
-----------
Data: Supplied by Joe Townsend. Different syntax for scftargets as it's as an earlier version of GAMESS.

Added Paths:
-----------
    trunk/data/GAMESS/wildGAMESS-US/
    trunk/data/GAMESS/wildGAMESS-US/bv6010sup1molecule_4.inp.cml_.log

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[cclib-svn] SF.net SVN: cclib: [207] trunk/data/GAMESS

[<bao...@us...>]

Revision: 207
Author:   baoilleach
Date:     2006-06-15 07:20:16 -0700 (Thu, 15 Jun 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=207&view=rev

Log Message:
-----------
Data: Example PCGAMESS file from AOMIX examples (available on web). Broke parser: fixed by r184

Added Paths:
-----------
    trunk/data/GAMESS/wildPCGAMESS/
    trunk/data/GAMESS/wildPCGAMESS/gamess.log

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

[cclib-svn] SF.net SVN: cclib: [544] trunk/data/GAMESS

[<bao...@us...>]

Revision: 544
          http://svn.sourceforge.net/cclib/?rev=544&view=rev
Author:   baoilleach
Date:     2007-02-24 04:29:48 -0800 (Sat, 24 Feb 2007)

Log Message:
-----------
More data files:
(1) Bug: GAMESS fails when parsing an imaginary frequency (worth checking using planar ammonia with other codes)
(2) PC-GAMESS can do TDDFT!
(3) PC-GAMESS can do MP2/3/4

Added Paths:
-----------
    trunk/data/GAMESS/basicGAMESS-US/nh3_ts_ir.inp
    trunk/data/GAMESS/basicGAMESS-US/nh3_ts_ir.out
    trunk/data/GAMESS/basicPCGAMESS/dvb_td.inp
    trunk/data/GAMESS/basicPCGAMESS/dvb_td.out
    trunk/data/GAMESS/basicPCGAMESS/water_mp2.inp
    trunk/data/GAMESS/basicPCGAMESS/water_mp2.out
    trunk/data/GAMESS/basicPCGAMESS/water_mp3.inp
    trunk/data/GAMESS/basicPCGAMESS/water_mp3.out
    trunk/data/GAMESS/basicPCGAMESS/water_mp4.inp
    trunk/data/GAMESS/basicPCGAMESS/water_mp4.out
    trunk/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.inp
    trunk/data/GAMESS/basicPCGAMESS/water_mp4_sdtq.out


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