Searched defs:pbex (Results 1 – 5 of 5) sorted by relevance
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | exchange_gga.f90 | 115 INTEGER, INTENT(IN) :: iflag !<GPU:VALUE> 116 REAL(DP), INTENT(IN) :: rho, grho 118 REAL(DP), INTENT(OUT) :: sx, v1x, v2x 123 REAL(DP) :: kf, agrho, s1, s2, ds, dsg, exunif, fx, sx_s 133 REAL(DP) :: dxunif, dfx, f1, f2, f3, dfx1 134 REAL(DP) :: p, amu, ab, c, dfxdp, dfxds, upbe, uge, s, ak, aa 136 REAL(DP), PARAMETER :: pi=3.14159265358979323846d0 137 REAL(DP), PARAMETER :: third=1._DP/3._DP, c1=0.75_DP/pi, & 138 c2=3.093667726280136_DP, c5=4._DP*third, & 139 c6=c2*2.51984210_DP, c7=0.8_DP [all …]
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/dports/science/xcfun/xcfun-2.1.1-1-gf87ca0e/src/functionals/ |
H A D | pbex.hpp | 19 namespace pbex { namespace
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/ |
H A D | blyp.f | 15 > pbex,dfpbednx,dfpbedagrx, argument 19 real*8 pbex,dfpbednx,dfpbedagrx local
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H A D | m06.f | 44 real*8 pbex,pbefnx,pbefdnx local 449 real*8 pbex,pbefnx,pbefdnx local
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/dft/ |
H A D | functional.cc | 3907 double &pbex, in spin_contrib() 3954 double pbex, dpbex_dr, dpbex_dg; in point() local
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