/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-epr-1/ |
H A D | TEST_FILES_RESET | 3 NO2-EPR-1.inp 5 NO2-EPR-2.inp 9 NO2-EPR-1.inp 11 NO2-EPR-2.inp 15 NO2-EPR-1.inp 17 NO2-EPR-2.inp 21 NO2-EPR-1.inp 23 NO2-EPR-2.inp 27 NO2-EPR-1.inp 29 NO2-EPR-2.inp [all …]
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H A D | TEST_FILES | 6 NO2-EPR-1.inp 20 2e-02 -0.0013392899999999999 7 NO2-EPR-2.inp 20 7e-01 -0.0017388499999999999 8 NO2-EPR-3.inp 20 1e+00 -0.00140565 9 NO2-EPR-keys-1.inp 20 2e-02 -0.0013716100000000001
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-epr-2/ |
H A D | TEST_FILES_RESET | 3 NO2-EPR-1.inp 4 NO2-EPR-2.inp 5 NO2-EPR-3.inp 7 NO2-EPR-1.inp 9 NO2-EPR-2.inp 11 NO2-EPR-3.inp 13 NO2-EPR-1.inp 15 NO2-EPR-2.inp 17 NO2-EPR-3.inp 19 NO2-EPR-1.inp [all …]
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H A D | TEST_FILES | 6 NO2-EPR-1.inp 20 1e-01 -0.0034456299999999999 7 NO2-EPR-2.inp 20 2e-01 -0.0025281700000000002 8 NO2-EPR-3.inp 20 4e-01 -0.0035860200000000001
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gapw-2/ |
H A D | TEST_FILES_RESET | 19 NO2-ROKS.inp 29 NO2-ROKS.inp 41 NO2-ROKS.inp 43 NO2-ROKS.inp 52 NO2-ROKS.inp 72 NO2-ROKS.inp 103 NO2-ROKS.inp 107 NO2-ROKS.inp 109 NO2-ROKS.inp 111 NO2-ROKS.inp [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-4/ |
H A D | TEST_FILES_RESET | 288 NO2-EFG-1.inp 296 NO2-EFG-1.inp 300 NO2-EFG-1.inp 306 NO2-EFG-1.inp 348 NO2-EFG-1.inp 396 NO2-EFG-1.inp 425 NO2-EFG-1.inp 463 NO2-EFG-1.inp 473 NO2-EFG-1.inp 479 NO2-EFG-1.inp [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-epr-1/ |
H A D | TEST_FILES | 6 NO2-EPR-1.inp 20 2e-02 -0.0013392899999999999 7 NO2-EPR-2.inp 20 7e-01 -0.0017388499999999999 8 NO2-EPR-3.inp 20 1e+00 -0.00140565 9 NO2-EPR-keys-1.inp 20 2e-02 -0.0013716100000000001
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/dports/math/R-cran-gss/gss/man/ |
H A D | NO2.Rd | 1 \name{NO2} 2 \alias{NO2} 9 \usage{data(NO2)} 13 \code{no2} \tab Concentration of NO2, on log scale.\cr
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-epr-2/ |
H A D | TEST_FILES | 6 NO2-EPR-1.inp 20 1e-01 -0.0034456299999999999 7 NO2-EPR-2.inp 20 2e-01 -0.0025281700000000002 8 NO2-EPR-3.inp 20 4e-01 -0.0035860200000000001
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test/data/ |
H A D | noxNeg.cti | 5 species = """ gri30: O O2 N NO NO2 N2O N2 NH H H2O NH2 AR """, 57 three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0], 61 reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])
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H A D | air-no-reactions.cti | 5 species = """ O O2 N NO NO2 N2O N2 AR """, 13 species = """ O O2 N NO NO2 N2O N2 """, 74 species(name = "NO2",
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H A D | noxNeg.yaml | 10 - gri30.yaml/species: [O, O2, N, NO, NO2, N2O, N2, NH, H, H2O, NH2, AR] 49 - equation: NO + O + M <=> NO2 + M 53 - equation: NO2 + O <=> NO + O2
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-all-electron/ |
H A D | TEST_FILES_RESET | 4 NO2-rhotot-cube.inp 10 NO2-rhotot-cube.inp
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/dports/science/antioch/antioch-0.4.0-156-g90ffa43/share/antioch_default_files/ |
H A D | antioch_default_vibrational_data.dat | 79 NO2 1.07900e+03 1 80 NO2 1.90000e+03 1 81 NO2 2.32700e+03 1
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/dports/science/grib_api/grib_api-1.28.0-Source/definitions/grib1/ |
H A D | 2.82.128.table | 20 31 no2 NO2 NO2/NO2 - 33 44 nox NOX NOX/NOX as NO2 - 35 46 no2_n NO2_N NO2_N/NO2 as N - 36 47 nox_n NOX_N NOX_N/NO2+NO (NOx) as nitrogen - 53 65 ox OX OX/Ox=O3+NO2 -
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/dports/science/eccodes/eccodes-2.23.0-Source/definitions/grib1/ |
H A D | 2.82.128.table | 20 31 no2 NO2 NO2/NO2 - 33 44 nox NOX NOX/NOX as NO2 - 35 46 no2_n NO2_N NO2_N/NO2 as N - 36 47 nox_n NOX_N NOX_N/NO2+NO (NOx) as nitrogen - 53 65 ox OX OX/Ox=O3+NO2 -
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/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/mdl/ |
H A D | bug1587283.mol | 37 NO2 43 M SMT 1 NO2
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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/FileParsers/sgroup_test_data/ |
H A D | Sgroups_Abbreviations.mol | 30 NO2 38 M SMT 1 NO2
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/inputs/ |
H A D | air.cti | 12 species = """ O O2 N NO NO2 N2O N2 AR """, 97 species(name = "NO2", 198 three_body_reaction( "NO + O + M <=> NO2 + M", [1.06000E+20, -1.41, 0], 202 reaction( "NO2 + O <=> NO + O2", [3.90000E+12, 0, -240])
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/dports/math/py-pyodesys/pyodesys-0.14.1/examples/ |
H A D | _convert_to_autonomous_eyring_sinusoidal.ipynb | 24 "# 2 HNO2 -> H2O + NO + NO2; MassAction(EyringHS.fk('dH1', 'dS1'))\n", 25 "# 2 NO2 -> N2O4; MassAction(EyringHS.fk('dH2', 'dS2'))\n", 27 "# HNO2 H2O NO NO2 N2O4\n", 29 " names = 'HNO2 H2O NO NO2 N2O4'.split()\n", 32 " HNO2, H2O, NO, NO2, N2O4 = [y[k] for k in (names if dep_by_name else range(5))]\n", 43 " r2 = k2*NO2**2\n", 202 "ic = dict(HNO2=1, H2O=55, NO=0, NO2=0, N2O4=0)\n",
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/test_problems/CpJump/ |
H A D | bad_air.yaml | 12 species: [O, O2, N, NO, NO2, N2O, N2, AR] 89 - name: NO2 174 - equation: NO + O + M <=> NO2 + M # Reaction 7 178 - equation: NO2 + O <=> NO + O2 # Reaction 8
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/data/ |
H A D | air.yaml | 16 species: [O, O2, N, NO, NO2, N2O, N2, AR] 90 - name: NO2 177 - equation: NO + O + M <=> NO2 + M # Reaction 7 181 - equation: NO2 + O <=> NO + O2 # Reaction 8
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/dports/science/py-chempy/chempy-0.8.2/examples/ |
H A D | _kinetics_ode_time_dependent_units.ipynb | 28 "2 HNO2 -> H2O + NO + NO2; EyringParam(dH=85e3*J/mol, dS=10*J/K/mol)\n", 29 "2 NO2 -> N2O4; EyringParam(dH=70e3*J/mol, dS=20*J/K/mol)\n", 77 " result.plot(names='NO HNO2 N2O4 NO2'.split())\n",
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H A D | kinetics_ode_time_dependent.ipynb | 32 "2 HNO2 -> H2O + NO + NO2; EyringParam(dH=85e3, dS=10)\n", 33 "2 NO2 -> N2O4; EyringParam(dH=70e3, dS=20)\n", 80 " result.plot(names='NO HNO2 N2O4 NO2'.split(), title_info=2)\n",
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/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/regtest/ |
H A D | TEST_FILES_RESET | 48 NO2-ROKS.inp 88 NO2-ROKS.inp 108 NO2-ROKS.inp 114 NO2-ROKS.inp 138 NO2-ROKS.inp 154 NO2-ROKS.inp 177 NO2-ROKS.inp 189 NO2-ROKS.inp 757 NO2-ROKS.inp 785 NO2-ROKS.inp [all …]
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