Searched refs:gExp (Results 1 – 15 of 15) sorted by relevance
/dports/science/xtb/xtb-6.4.1/src/coulomb/ |
H A D | klopmanohno.f90 | 61 real(wp) :: gExp component 125 real(wp), intent(in) :: gExp local 184 real(wp), intent(in) :: gExp local 202 self%gExp = gExp 295 rterm = 1.0_wp/(r1**gExp + gij**(-gExp))**(1.0_wp/gExp) 414 real(wp),intent(in) :: gExp local 430 rterm = rTerm + 1.0_wp/(r1**gExp + gam**(-gExp))**(1.0_wp/gExp) & 522 g1 = 1.0_wp / (r1**gExp + gij**(-gExp)) 523 dG(:) = -vec*r1**(gExp-2.0_wp) * g1 * g1**(1.0_wp/gExp) 674 g1 = 1.0_wp / (r1**gExp + gij**(-gExp)) [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/ |
H A D | CasinoParser.cpp | 193 gExp.resize(n); in getGaussianCenters() 223 getValues(is, gExp.begin(), gExp.end()); in getGaussianCenters() 277 gC0[i] *= contractionCorrection(gShell[i], gExp[i]); in makeCorrections() 279 gC1[i] *= contractionCorrection(3, gExp[i]); in makeCorrections()
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H A D | GaussianFCHKParser.cpp | 133 gExp.resize(nx); in parse() 641 getValues(is, gExp.begin(), gExp.end()); in getGaussianCenters()
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H A D | QMCGaussianParserBase.h | 100 std::vector<value_type> gExp, gC0, gC1; member
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H A D | QPParser.cpp | 448 gExp.clear(); in getGaussianCenters() 471 gExp.push_back(expo[indx][k]); in getGaussianCenters()
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H A D | GamesAsciiParser.cpp | 705 gExp.clear(); in getGaussianCenters() 725 gExp.push_back(expo[indx][k]); in getGaussianCenters()
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H A D | QMCGaussianParserBase.cpp | 1345 hout.write(gExp[i], "exponent"); in createShellH5() 1358 hout.write(gExp[i], "exponent"); in createShellH5() 1398 a << gExp[i]; in createShell()
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/dports/science/xtb/xtb-6.4.1/src/xtb/ |
H A D | data.f90 | 177 real(wp) :: gExp component 430 write(unit, rfmt) "alpha", self%coulomb%gExp
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H A D | gfn1.f90 | 617 self%gExp = gfn1Globals%alphaj
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H A D | gfn2.f90 | 785 self%gExp = gfn2Globals%alphaj
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/dports/www/Stikked/Stikked-0.13.0/htdocs/themes/cleanwhite/js/codemirror/mode/livescript/ |
H A D | livescript.ls | 100 :R(?:e(?:gExp|ferenceError)|angeError)
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/dports/science/xtb/xtb-6.4.1/src/ |
H A D | scf_module.F90 | 420 & xtbData%coulomb%gExp, num=idnum, nshell=xtbData%nShell) 436 & mol%xyz,xtbData%coulomb%gExp,Vpc) 795 & xtbData%nshell,mol%xyz,xtbData%coulomb%gExp,wfn%qsh)
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H A D | read_gfn_param.f90 | 165 xtbData%coulomb%gExp = globpar%alphaj
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/dports/graphics/qgis-ltr/qgis-3.16.16/tests/src/core/ |
H A D | testqgsgeometry.cpp | 17644 QgsGeometry gExp = QgsGeometry::fromWkt( pair.second ); in makeValid() local 17646 QVERIFY( !gExp.isNull() ); in makeValid() 17650 QVERIFY( gValid.isGeosEqual( gExp ) ); in makeValid()
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/dports/devel/py-nbdime/nbdime-3.1.1/nbdime/webapp/static/ |
H A D | 1.nbdime.js.map | 1 …, {\n token: 'language.support.class',\n regex: '(?:R(?:e(?:gExp|ferenceError)|angeE…
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