/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ch3f_trans_bq/ |
H A D | bq_charges | 1 Bq 2.84775906502314 3.54119610014791 5.54119610014905 2.409541715232177E-003 2 Bq 1.54119610014677 4.84775906502428 5.54119610014905 2.357936588956132E-003 3 Bq 2.15470053837982 4.15470053838096 6.15470053838210 -2.222677086115048E-003 4 Bq -0.847759065022002 3.54119610014791 5.54119610014905 1.264156578456016E-003 5 Bq -0.847759065022002 2.45880389985552 5.54119610014905 1.264157318028993E-003 6 Bq 1.54119610014677 1.15224093497914 5.54119610014905 2.357936844587748E-003 7 Bq 2.84775906502314 2.45880389985552 5.54119610014905 2.409544728906696E-003 8 Bq 2.15470053837982 1.84529946162246 6.15470053838210 -2.222676518571642E-003 9 Bq 1.54119610014677 3.54119610014791 3.15224093498028 5.696159465562918E-003 10 Bq 1.54119610014677 4.84775906502428 4.45880389985666 2.414016924653403E-003 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ch3f_trans_bq/ |
H A D | bq_charges | 1 Bq 2.84775906502314 3.54119610014791 5.54119610014905 2.409541715232177E-003 2 Bq 1.54119610014677 4.84775906502428 5.54119610014905 2.357936588956132E-003 3 Bq 2.15470053837982 4.15470053838096 6.15470053838210 -2.222677086115048E-003 4 Bq -0.847759065022002 3.54119610014791 5.54119610014905 1.264156578456016E-003 5 Bq -0.847759065022002 2.45880389985552 5.54119610014905 1.264157318028993E-003 6 Bq 1.54119610014677 1.15224093497914 5.54119610014905 2.357936844587748E-003 7 Bq 2.84775906502314 2.45880389985552 5.54119610014905 2.409544728906696E-003 8 Bq 2.15470053837982 1.84529946162246 6.15470053838210 -2.222676518571642E-003 9 Bq 1.54119610014677 3.54119610014791 3.15224093498028 5.696159465562918E-003 10 Bq 1.54119610014677 4.84775906502428 4.45880389985666 2.414016924653403E-003 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/ch3f_notrans_bq/ |
H A D | bq_charges | 1 Bq 1.84775906502257 0.541196100146197 0.541196100146197 2.402225750307932E-003 2 Bq 0.541196100146197 1.84775906502257 0.541196100146197 2.340440231936370E-003 3 Bq 1.15470053837925 1.15470053837925 1.15470053837925 -2.229500828889751E-003 4 Bq -1.84775906502257 0.541196100146197 0.541196100146197 1.251753089125840E-003 5 Bq -1.84775906502257 -0.541196100146197 0.541196100146197 1.251752729896357E-003 6 Bq 0.541196100146197 -1.84775906502257 0.541196100146197 2.340440248656548E-003 7 Bq 1.84775906502257 -0.541196100146197 0.541196100146197 2.402232144015150E-003 8 Bq 1.15470053837925 -1.15470053837925 1.15470053837925 -2.229499399085493E-003 9 Bq 0.541196100146197 0.541196100146197 -1.84775906502257 5.691435832485188E-003 10 Bq 0.541196100146197 1.84775906502257 -0.541196100146197 2.407522319053154E-003 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/ch3f_notrans_bq/ |
H A D | bq_charges | 1 Bq 1.84775906502257 0.541196100146197 0.541196100146197 2.402225750307932E-003 2 Bq 0.541196100146197 1.84775906502257 0.541196100146197 2.340440231936370E-003 3 Bq 1.15470053837925 1.15470053837925 1.15470053837925 -2.229500828889751E-003 4 Bq -1.84775906502257 0.541196100146197 0.541196100146197 1.251753089125840E-003 5 Bq -1.84775906502257 -0.541196100146197 0.541196100146197 1.251752729896357E-003 6 Bq 0.541196100146197 -1.84775906502257 0.541196100146197 2.340440248656548E-003 7 Bq 1.84775906502257 -0.541196100146197 0.541196100146197 2.402232144015150E-003 8 Bq 1.15470053837925 -1.15470053837925 1.15470053837925 -2.229499399085493E-003 9 Bq 0.541196100146197 0.541196100146197 -1.84775906502257 5.691435832485188E-003 10 Bq 0.541196100146197 1.84775906502257 -0.541196100146197 2.407522319053154E-003 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/qmmm_opt0/ |
H A D | qmmm_opt0.out | 232 Total number of Bq charges 362 233 Number of solute Bq charges 29 234 Number of solvent Bq charges 333 235 Total Bq charge: -5.4999999999999716E-002 333 Total number of active Bq charges 1 518 Total number of active Bq charges 41 627 Total number of active Bq charges 41 723 Total number of active Bq charges 41 830 Total number of active Bq charges 41 926 Total number of active Bq charges 41 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/qmmm_opt0/ |
H A D | qmmm_opt0.out | 232 Total number of Bq charges 362 233 Number of solute Bq charges 29 234 Number of solvent Bq charges 333 235 Total Bq charge: -5.4999999999999716E-002 333 Total number of active Bq charges 1 518 Total number of active Bq charges 41 627 Total number of active Bq charges 41 723 Total number of active Bq charges 41 830 Total number of active Bq charges 41 926 Total number of active Bq charges 41 [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/18/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/20/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/19/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/19/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/20/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/18/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/21/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/24/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/27/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/22/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/23/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/25/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/26/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib3/tables/1/ |
H A D | 7.3.0.18.table | 3 0 0 Air concentration of caesium 137 (Bq m-3) 4 1 1 Air concentration of iodine 131 (Bq m-3) 5 2 2 Air concentration of radioactive pollutant (Bq m-3) 6 3 3 Ground deposition of caesium 137 (Bq m-2) 7 4 4 Ground deposition of iodine 131 (Bq m-2) 13 10 10 Air concentration (Bq m-3) 14 11 11 Wet deposition (Bq m-2) 15 12 12 Dry deposition (Bq m-2) 16 13 13 Total deposition (wet + dry) (Bq m-2) 17 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/17/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib2/tables/17/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) 15 13 13 Total deposition (wet + dry) (Bq m-2) 16 14 14 Specific activity concentration (Bq kg-1) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/16/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 7 5 5 Ground deposition of radioactive pollutant (Bq m-2) 9 7 7 Time-integrated air concentration of iodine pollutant (Bq s m-3) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/14/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 7 5 5 Ground deposition of radioactive pollutant (Bq m-2) 9 7 7 Time-integrated air concentration of iodine pollutant (Bq s m-3) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) [all …]
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib2/tables/15/ |
H A D | 4.2.0.18.table | 2 0 0 Air concentration of caesium 137 (Bq m-3) 3 1 1 Air concentration of iodine 131 (Bq m-3) 4 2 2 Air concentration of radioactive pollutant (Bq m-3) 5 3 3 Ground deposition of caesium 137 (Bq m-2) 6 4 4 Ground deposition of iodine 131 (Bq m-2) 7 5 5 Ground deposition of radioactive pollutant (Bq m-2) 9 7 7 Time-integrated air concentration of iodine pollutant (Bq s m-3) 12 10 10 Air concentration (Bq m-3) 13 11 11 Wet deposition (Bq m-2) 14 12 12 Dry deposition (Bq m-2) [all …]
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