Version history of RUNpcg/Luceat |
| Date | Change or fix | Bug found by | |
| 07-29-2010 | Luceat: fixed counter for MO output | ES | |
| 05-02-2010 | Luceat: fixed italian localization | Patrizio 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 > 999 | ES | |
| 10-28-2006 | RUNpcg: automatically corrects $CONTROL to $CONTRL in input file | ||
| 08-20-2006 | RUNpcg, runpcglin: nffunc input activated | ES | |
| 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 incorrectly | Jo Conceicao | |
| 05-01-2005 | check for correct Gamess executable | ||
| 04-28-2005 | crash removed when Gamess aborts | Tim Corcoran | |
| 04-27-2005 | ChemCraft operative, its xyz file readable | Tim Corcoran | |
| 03-03-2005 | Mwords, Nconv fixed | ES | |
| 02-15-2005 | rare output crashes fixed | ES | |
| 02-13-2005 | IR/Raman mode marker call simplified | ||
| 02-11-2005 | IR/Raman mode marker fixed | Jim Kress | |
| 01-22-2005 | error trapping improved | ||
| 01-21-2005 | handling of large output files improved | ||
| 01-20-2005 | bugs opttol and hessvar fixed | ES | |
| 01-05-2005 | more improvements | ||
| 01-03-2005 | various improvements | ||
| 01-01-2005 | bugs in output parser fixed | ES | |
| 12-27-2004 | return from Molekel fixed | ES | |
| 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 var | ES | |
| 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 calling | ES | bugfix: sticky RAMAN checkbox | Arlen Viste |
| 07-08-2004 | added mode marking to IR/Raman spectrum | merged irspec.d and raspec.d modules | |
| 07-06-2004 | bugfix: blank line in IR output | Arlen Viste | |
| 07-05-2004 | bugfix: import of PDB and XYZ coordinates | Arlen Viste | time stamp from AM/PM time conv. to 24h clock | ES | 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. |