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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 0001.RE:_start_geome..> | 02-Aug-2004 06:19 | 3.1K | |
| 0002.About_the_Car-P..> | 03-Aug-2004 11:22 | 2.0K | |
| 0003.missing_dylib_s..> | 03-Aug-2004 16:34 | 1.8K | |
| 0004.Re:_missing_dyl..> | 04-Aug-2004 05:19 | 2.3K | |
| 0005.31:31:nga_put:c..> | 04-Aug-2004 07:38 | 1.1K | |
| 0006.problems_with_m..> | 04-Aug-2004 09:43 | 3.1K | |
| 0007.scaling_factor_..> | 04-Aug-2004 12:50 | 1.1K | |
| 0008.TPSS | 05-Aug-2004 07:01 | 1.4K | |
| 0009.Re:_TPSS | 05-Aug-2004 07:13 | 1.6K | |
| 0010.Re:_TPSS | 05-Aug-2004 07:25 | 1.9K | |
| 0011.Re:_TPSS | 05-Aug-2004 08:41 | 1.8K | |
| 0012.Re:_TPSS | 05-Aug-2004 08:45 | 1.5K | |
| 0013.Re:_TPSS | 05-Aug-2004 08:46 | 1.7K | |
| 0014.CCSD_T_calculat..> | 05-Aug-2004 12:10 | 2.8K | |
| 0015.RE:_CCSD_T_calc..> | 05-Aug-2004 13:13 | 4.0K | |
| 0016.Re:_CCSD_T_calc..> | 05-Aug-2004 13:21 | 2.0K | |
| 0017.Re:_CCSD_T_calc..> | 05-Aug-2004 14:04 | 4.2K | |
| 0018.RE:_CCSD_T_calc..> | 05-Aug-2004 18:43 | 3.5K | |
| 0019.Re:_CCSD_T_calc..> | 05-Aug-2004 19:35 | 3.4K | |
| 0020.RE:_CCSD_T_calc..> | 06-Aug-2004 16:51 | 3.7K | |
| 0021.optimization_of..> | 06-Aug-2004 17:14 | 2.4K | |
| 0022.How_to_properly..> | 06-Aug-2004 20:39 | 1.6K | |
| 0023.Re:_How_to_prop..> | 07-Aug-2004 12:14 | 2.4K | |
| 0024.NWCHEM_Memory_A..> | 07-Aug-2004 12:32 | 1.2K | |
| 0025.Re:_How_to_prop..> | 07-Aug-2004 17:22 | 2.7K | |
| 0026.RE:_optimizatio..> | 08-Aug-2004 07:00 | 3.2K | |
| 0027._constrained_op..> | 08-Aug-2004 14:52 | 2.1K | |
| 0028.Re:_constrained..> | 08-Aug-2004 18:52 | 1.4K | |
| 0029.fixed_atoms_--_..> | 09-Aug-2004 11:44 | 1.1K | |
| 0030.1:cannot_open_s..> | 09-Aug-2004 12:43 | 1.5K | |
| 0031.Re:_1:cannot_op..> | 09-Aug-2004 19:14 | 1.8K | |
| 0032.NWChem-4.6_Infi..> | 13-Aug-2004 06:16 | 1.8K | |
| 0033.Re:_NWChem-4.6_..> | 13-Aug-2004 09:06 | 2.6K | |
| 0034.Re:_NWChem-4.6_..> | 13-Aug-2004 10:28 | 2.8K | |
| 0035.Re:_NWChem-4.6_..> | 13-Aug-2004 20:53 | 3.6K | |
| 0036.Re:_NWChem-4.6_..> | 16-Aug-2004 02:49 | 2.2K | |
| 0037.Hirao_relativis..> | 16-Aug-2004 14:59 | 1.4K | |
| 0038.RE:_Hirao_relat..> | 16-Aug-2004 17:11 | 2.6K | |
| 0039.From_NWChem_MD_..> | 17-Aug-2004 10:23 | 1.3K | |
| 0040.Re:_Hirao_relat..> | 17-Aug-2004 14:35 | 3.4K | |
| 0041.RE:_Hirao_relat..> | 17-Aug-2004 21:33 | 4.2K | |
| 0042.Re:_Hirao_relat..> | 19-Aug-2004 23:44 | 5.1K | |
| 0043.SODFT_problem | 22-Aug-2004 22:59 | 15K | |
| 0044.NWChem_install_..> | 23-Aug-2004 14:17 | 5.6K | |
| 0045.RE:_NWChem_inst..> | 24-Aug-2004 02:56 | 6.5K | |
| 0046.RE:_SODFT_problem | 24-Aug-2004 10:22 | 18K | |
| 0047.NWCHEM_-_Benchm..> | 24-Aug-2004 18:03 | 1.6K | |
| 0048.Fwd:_Job_145357..> | 25-Aug-2004 08:49 | 5.3K | |
| 0049.RE:_Job_145357:..> | 25-Aug-2004 10:45 | 1.9K | |
| 0050.RE:_Job_145357:..> | 25-Aug-2004 11:19 | 2.7K | |
| 0051.Solvent_errors | 25-Aug-2004 11:35 | 3.5K | |
| 0052.Fwd:_Input_Outp..> | 25-Aug-2004 13:02 | 1.9K | |
| 0053.RE:_NWCHEM_-_Be..> | 25-Aug-2004 18:00 | 2.9K | |
| 0054.Re:_NWCHEM_-_Be..> | 25-Aug-2004 22:01 | 3.3K | |
| 0055.to_modify_water..> | 26-Aug-2004 09:46 | 1.2K | |
| 0056.Re:_trying_comp..> | 26-Aug-2004 09:59 | 7.7K | |
| 0057.RE:_to_modify_w..> | 26-Aug-2004 10:36 | 2.6K | |
| 0058.Forces_and_ener..> | 26-Aug-2004 11:51 | 2.7K | |
| 0059.FW:_TDDFT_question | 26-Aug-2004 13:35 | 24K | |
| 0060.RE:_to_modify_w..> | 26-Aug-2004 14:13 | 2.1K | |
| 0061.RE:_TDDFT_question | 26-Aug-2004 14:52 | 3.6K | |
| 0062.RE:_TDDFT_question | 26-Aug-2004 15:18 | 4.0K | |
| 0063.make_dbl_to_sng..> | 26-Aug-2004 16:19 | 3.4K | |
| 0064.Re:_make_dbl_to..> | 26-Aug-2004 16:39 | 3.8K | |
| 0065.Re:_make_dbl_to..> | 26-Aug-2004 16:41 | 4.6K | |
| 0066._set_in_md | 26-Aug-2004 17:44 | 1.0K | |
| 0067.RE:_set_in_md | 26-Aug-2004 18:43 | 2.4K | |
| 0068.Atom_not_found_..> | 27-Aug-2004 04:22 | 2.0K | |
| 0069.Atom_not_found_..> | 27-Aug-2004 11:55 | 2.8K | |
| 0070.RE:_Atom_not_fo..> | 27-Aug-2004 12:03 | 3.7K | |
| 0071.Re:_Atom_not_fo..> | 27-Aug-2004 18:21 | 3.8K | |
| 0072.Calculation_fai..> | 28-Aug-2004 15:48 | 1.8K | |
| 0073._windows-1251_Q..> | 29-Aug-2004 15:39 | 1.4K | |
| 0074.RE:_eatoms_para..> | 30-Aug-2004 13:09 | 2.6K | |
| 0075.tolguess_in_NWc..> | 30-Aug-2004 14:48 | 3.4K | |
| 0076.Re:_eatoms_para..> | 30-Aug-2004 14:56 | 3.5K | |
| 0077.the_output_of_f..> | 30-Aug-2004 20:02 | 1.1K | |
| 0078.system_wide_scr..> | 31-Aug-2004 08:49 | 1.2K | |
| 0079.Re:_system_wide..> | 31-Aug-2004 08:57 | 1.9K | |
| 0080.Re:_system_wide..> | 31-Aug-2004 09:40 | 3.3K | |
| 0081.Re:_system_wide..> | 31-Aug-2004 09:58 | 4.3K | |
| 0082.RE:_system_wide..> | 31-Aug-2004 10:03 | 5.4K | |
| 0083.Re:_system_wide..> | 31-Aug-2004 10:07 | 4.4K | |
| 0084.Re:_system_wide..> | 31-Aug-2004 10:35 | 5.4K | |
| 0085.Re:_system_wide..> | 31-Aug-2004 12:54 | 2.2K | |
| 0086.RE:_system_wide..> | 31-Aug-2004 13:00 | 2.7K | |
| 0087.Re:_system_wide..> | 31-Aug-2004 13:00 | 5.6K | |
| 0088.NWChem_dying_on..> | 31-Aug-2004 13:31 | 1.6K | |
| 0089.Re:_the_output_..> | 31-Aug-2004 13:59 | 2.6K | |
| 0090.NWChem_MP2_resu..> | 31-Aug-2004 19:54 | 3.9K | |