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Searched refs:gExp (Results 1 – 15 of 15) sorted by relevance

/dports/science/xtb/xtb-6.4.1/src/coulomb/
H A Dklopmanohno.f9061 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 …]
/dports/science/qmcpack/qmcpack-3.11.0/src/QMCTools/
H A DCasinoParser.cpp193 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()
H A DGaussianFCHKParser.cpp133 gExp.resize(nx); in parse()
641 getValues(is, gExp.begin(), gExp.end()); in getGaussianCenters()
H A DQMCGaussianParserBase.h100 std::vector<value_type> gExp, gC0, gC1; member
H A DQPParser.cpp448 gExp.clear(); in getGaussianCenters()
471 gExp.push_back(expo[indx][k]); in getGaussianCenters()
H A DGamesAsciiParser.cpp705 gExp.clear(); in getGaussianCenters()
725 gExp.push_back(expo[indx][k]); in getGaussianCenters()
H A DQMCGaussianParserBase.cpp1345 hout.write(gExp[i], "exponent"); in createShellH5()
1358 hout.write(gExp[i], "exponent"); in createShellH5()
1398 a << gExp[i]; in createShell()
/dports/science/xtb/xtb-6.4.1/src/xtb/
H A Ddata.f90177 real(wp) :: gExp component
430 write(unit, rfmt) "alpha", self%coulomb%gExp
H A Dgfn1.f90617 self%gExp = gfn1Globals%alphaj
H A Dgfn2.f90785 self%gExp = gfn2Globals%alphaj
/dports/www/Stikked/Stikked-0.13.0/htdocs/themes/cleanwhite/js/codemirror/mode/livescript/
H A Dlivescript.ls100 :R(?:e(?:gExp|ferenceError)|angeError)
/dports/science/xtb/xtb-6.4.1/src/
H A Dscf_module.F90420 & 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)
H A Dread_gfn_param.f90165 xtbData%coulomb%gExp = globpar%alphaj
/dports/graphics/qgis-ltr/qgis-3.16.16/tests/src/core/
H A Dtestqgsgeometry.cpp17644 QgsGeometry gExp = QgsGeometry::fromWkt( pair.second ); in makeValid() local
17646 QVERIFY( !gExp.isNull() ); in makeValid()
17650 QVERIFY( gValid.isGeosEqual( gExp ) ); in makeValid()
/dports/devel/py-nbdime/nbdime-3.1.1/nbdime/webapp/static/
H A D1.nbdime.js.map1 …, {\n token: 'language.support.class',\n regex: '(?:R(?:e(?:gExp|ferenceError)|angeE…