| Name | Last modified | Size | Description | |
|---|---|---|---|---|
| Parent Directory | - | |||
| 0001.RE:_NWChem_MP2_..> | 01-Sep-2004 05:13 | 2.9K | ||
| 0002.Re:_NWChem_MP2_..> | 01-Sep-2004 05:42 | 9.6K | ||
| 0003.RE:_NWChem_MP2_..> | 01-Sep-2004 05:42 | 5.8K | ||
| 0004.Summary:_NWChem..> | 02-Sep-2004 11:52 | 5.7K | ||
| 0005.bad_character_i..> | 02-Sep-2004 14:03 | 3.2K | ||
| 0006.Compilation_for..> | 02-Sep-2004 14:28 | 1.3K | ||
| 0007.Re:_bad_charact..> | 03-Sep-2004 11:33 | 3.8K | ||
| 0008.Basis_set_limit..> | 03-Sep-2004 20:08 | 1.2K | ||
| 0009.PAW_calculation..> | 06-Sep-2004 15:29 | 1.7K | ||
| 0010.RE:_PAW_calcula..> | 07-Sep-2004 10:22 | 3.1K | ||
| 0011.Changing_NWPW_B..> | 08-Sep-2004 13:19 | 2.3K | ||
| 0012.nwpw_band_struc..> | 09-Sep-2004 08:09 | 3.0K | ||
| 0013.Re:_nwpw_band_s..> | 09-Sep-2004 10:53 | 3.9K | ||
| 0014.QMD_in_NWChem_4.6 | 09-Sep-2004 11:27 | 2.4K | ||
| 0015.RE:_QMD_in_NWCh..> | 09-Sep-2004 11:40 | 3.6K | ||
| 0016.segmentation_fa..> | 09-Sep-2004 15:54 | 1.8K | ||
| 0017.Re:_segmentatio..> | 09-Sep-2004 15:59 | 1.9K | ||
| 0018.Re:_Changing_NW..> | 09-Sep-2004 16:32 | 2.5K | ||
| 0019.Re:_segmentatio..> | 10-Sep-2004 09:13 | 2.9K | ||
| 0020.Re:_segmentatio..> | 10-Sep-2004 09:33 | 3.2K | ||
| 0021.dft_energy_failed | 10-Sep-2004 13:27 | 2.2K | ||
| 0022.Re:_dft_energy_..> | 10-Sep-2004 14:15 | 2.8K | ||
| 0023.No_Subject | 12-Sep-2004 08:21 | 2.9K | ||
| 0024.pspw_results_vi..> | 13-Sep-2004 04:41 | 1.3K | ||
| 0025.RE: | 13-Sep-2004 08:33 | 3.5K | ||
| 0026.NWChem_4.6_restart | 13-Sep-2004 12:04 | 1.4K | ||
| 0027.RE:_pspw_result..> | 13-Sep-2004 12:15 | 3.5K | ||
| 0028.Strange_error_i..> | 13-Sep-2004 14:01 | 2.0K | ||
| 0029.Re:_Strange_err..> | 13-Sep-2004 14:06 | 2.1K | ||
| 0030.Re:_Strange_err..> | 13-Sep-2004 21:31 | 3.0K | ||
| 0031.failed_to_attac..> | 14-Sep-2004 08:01 | 1.2K | ||
| 0032.RE:_Strange_err..> | 14-Sep-2004 09:39 | 3.8K | ||
| 0033.RE:_pspw_result..> | 14-Sep-2004 10:30 | 1.4K | ||
| 0034.z-matrix_oddity | 14-Sep-2004 10:50 | 2.4K | ||
| 0035.RE:_Strange_err..> | 17-Sep-2004 15:41 | 5.4K | ||
| 0036.NWCHEM_-_CYGWIN | 20-Sep-2004 09:34 | 1.0K | ||
| 0037.RE:_NWCHEM_-_CY..> | 20-Sep-2004 11:32 | 2.1K | ||
| 0038.Re:_NWCHEM_-_CY..> | 20-Sep-2004 19:48 | 2.3K | ||
| 0039.Re:_NWCHEM_-_CY..> | 21-Sep-2004 08:43 | 2.8K | ||
| 0040.NWCHEM_4.6_and_..> | 21-Sep-2004 08:45 | 5.8K | ||
| 0041.Re:_NWCHEM_4.6_..> | 21-Sep-2004 10:00 | 6.5K | ||
| 0042.unexpected_beha..> | 21-Sep-2004 11:43 | 3.4K | ||
| 0043.Problems_compil..> | 21-Sep-2004 13:37 | 6.2K | ||
| 0044.Re:_NWCHEM_4.6_..> | 21-Sep-2004 13:48 | 7.2K | ||
| 0045.Re:_NWCHEM_4.6_..> | 21-Sep-2004 14:03 | 11K | ||
| 0046.Solved:_NWCHEM_..> | 21-Sep-2004 17:05 | 4.8K | ||
| 0047.RE:_unexpected_..> | 22-Sep-2004 02:44 | 4.7K | ||
| 0048.vectors_input | 22-Sep-2004 13:44 | 5.2K | ||
| 0049.RE:_unexpected_..> | 23-Sep-2004 07:05 | 5.0K | ||
| 0050.RE:_nwpw_band_s..> | 23-Sep-2004 12:04 | 4.1K | ||
| 0051.RE:_unexpected_..> | 23-Sep-2004 12:35 | 1.5K | ||
| 0052.ordering_of_sph..> | 23-Sep-2004 13:25 | 1.5K | ||
| 0053.Re:_ordering_of..> | 23-Sep-2004 13:48 | 1.8K | ||
| 0054.Re:_ordering_of..> | 23-Sep-2004 14:53 | 2.5K | ||
| 0055.Re:_failed_to_a..> | 24-Sep-2004 10:59 | 1.4K | ||
| 0056.Re:_z-matrix_od..> | 24-Sep-2004 10:59 | 5.0K | ||
| 0057.DFT_frozen_core | 27-Sep-2004 10:17 | 1.4K | ||
| 0058.RE:_DFT_frozen_..> | 27-Sep-2004 10:29 | 2.0K | ||
| 0059.NWCHEM_on_SGI_A..> | 27-Sep-2004 10:45 | 1.8K | ||
| 0060.Re:_DFT_frozen_..> | 27-Sep-2004 10:54 | 1.6K | ||
| 0061.Re:_NWCHEM_on_S..> | 27-Sep-2004 11:14 | 2.7K | ||
| 0062.No_Subject | 28-Sep-2004 14:10 | 13K | ||
| 0063.DFT_Single_Poin..> | 28-Sep-2004 14:10 | 13K | ||
| 0064.RE:_DFT_iterations | 28-Sep-2004 14:48 | 20K | ||
| 0065.Re:_DFT_Single_..> | 28-Sep-2004 14:48 | 6.9K | ||
| 0066.Re:_NWCHEM_on_S..> | 29-Sep-2004 08:43 | 4.1K | ||
| 0067.amber_improper_..> | 29-Sep-2004 17:23 | 1.6K | ||
| 0068.Summary:_DFT_Si..> | 30-Sep-2004 01:20 | 14K | ||
| 0069.RE:_amber_impro..> | 30-Sep-2004 10:47 | 3.0K | ||
| 0070.dummy_centers | 30-Sep-2004 12:30 | 1.3K | ||