Version history of RUNpcg/Luceat

DateChange or fixBug found by
07-29-2010 Luceat: fixed counter for MO outputES
05-02-2010 Luceat: fixed italian localizationPatrizio Candeloro
11-12-2009 Luceat: Change to the new name Firefly 
03-09-2009 RUNpcg: Included CPUID bug workaround from A.A.Granovsky 
01-26-2009 RUNpcg: new MO/Eigenvec tables; \Tests now in GamessBase directory  
01-22-2009 RUNpcg: new parsing of MO's and Eigenvecs  
08-14-2008 RUNpcg: several small bug fixes (incl. one of PC Gamess)ES
06-15-2007 RUNpcg: crashed when nbr basis functions > 999ES
10-28-2006 RUNpcg: automatically corrects $CONTROL to $CONTRL in input file 
08-20-2006 RUNpcg, runpcglin: nffunc input activatedES
08-07-2006 RUNpcg: in Hessian runs, now last 'Energy Components' shown 
06-27-2006 RUNpcg(lin): IR/Raman Normal Coordinates saved 
06-20-2006 RUNpcg: DFT functional selection changed 
06-19-2006 RUNpcg: Manual updated; 'Gamessdir' explicit  
06-17-2006 RUNpcg/runpcglin with interfaces to Ghemical and Molden  
06-08-2006 RUNpcg can now process Unix output files 
06-01-2006 display of IR-spectrum crashed, typo in RUNpcg.d Inke Jones (AU)
May 2006 PC Gamess 7.0 final (build 1910), enabled for TDDFT and CIS 
11-22-2005 PC Gamess 7.0 preview, enabled for TDDFT and CIS 
11-04-2005 Manual edited for PC Gamess 7.0 preview 
09-20-2005 Manual improved 
05-28-2005 fixed: ENT files (HyperChem) read incorrectlyJo Conceicao
05-01-2005 check for correct Gamess executable 
04-28-2005 crash removed when Gamess abortsTim Corcoran
04-27-2005 ChemCraft operative, its xyz file readableTim Corcoran
03-03-2005 Mwords, Nconv fixedES
02-15-2005 rare output crashes fixedES
02-13-2005 IR/Raman mode marker call simplified 
02-11-2005 IR/Raman mode marker fixedJim Kress
01-22-2005 error trapping improved 
01-21-2005 handling of large output files improved 
01-20-2005 bugs opttol and hessvar fixedES
01-05-2005 more improvements 
01-03-2005 various improvements 
01-01-2005 bugs in output parser fixedES
12-27-2004 return from Molekel fixedES
12-26-2004 MOPAC runs properly parsed, output parsing accelerated 
12-17-2004 last coordinates of unconverged optimization --> COO,
output parsing accelerated
 
12-09-2004 new feature of PC Gamess v. 6.5: gaminp.d allows to set d5=.t.
for a basis of spherical harmonics (d5,f7,g9)
 
11-25-2004 bugfix: gaminp.d, gbasic var, dirscf varES
11-11-2004 cosmetics, Manual, runpcg.d, gaminp.d 
10-27-2004 cosmetics, Manual, runpcg.d 
10-11-2004 bugfixes: pltorb, local, nosym vars transfer
Manual updated
ES
09-22-2004 ICORBS now fully functional 
09-21-2004 Manual updated 
09-17-2004 more keywords added; made fully functional:
SadPoint, IRC, Cubegroup, extraction of Cubes
 
09-10-2004 cosmetics 
08-09-2004 added sorted input, update Manual 
07-14-2004 activated $DFT group input 
07-11-2004 added new coordinate type EQU 
07-10-2004 bugfix: advanced options callingES
 bugfix: sticky RAMAN checkboxArlen Viste
07-08-2004 added mode marking to IR/Raman spectrum 
 merged irspec.d and raspec.d modules 
07-06-2004bugfix: blank line in IR outputArlen Viste
07-05-2004 bugfix: import of PDB and XYZ coordinatesArlen Viste
 time stamp from AM/PM time conv. to 24h clockES
 RAMAN depolarization ratios exported 
06-25-2004 bugfix: $HESS, $VEC empty caused EOF error.ES
 new runtype: Raman; Automatic import of $VEC and $HESS groups.