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Searched refs:zetw (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_operators_r12.F164 zetw = 1.0_dp/(zeta(ipgf) + zetc(jpgf))
166 rho = zeta(ipgf)*zetc(jpgf)*zetw
179 rcw(:) = -zeta(ipgf)*zetw*rac(:)
247 f5 = 0.5_dp*zetw
249 raw(:) = zetc(jpgf)*zetw*rac(:)
456 f0 = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq
501 f0 = 2.0_dp*SQRT(pi**5*zetw*comega)*zetp*zetq
548 f0 = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq
610 f0 = 2.0_dp*SQRT(pi**5*zetw**3)/(rho + omega)*expT
660 f0 = pi**3*SQRT(zetw**3/(rho + omega)**3)*expT
[all …]
H A Dai_coulomb.F149 rho = zeta(ipgf)*zetc(jpgf)*zetw
172 rcw(:) = -zeta(ipgf)*zetw*rac(:)
240 f5 = 0.5_dp*zetw
242 raw(:) = zetc(jpgf)*zetw*rac(:)
495 rho = zeta(ipgf)*zetc(jpgf)*zetw
518 rcw(:) = -zeta(ipgf)*zetw*rac(:)
586 f5 = 0.5_dp*zetw
588 raw(:) = zetc(jpgf)*zetw*rac(:)
883 f4 = -zetc*zetw
1325 f5 = -zetw/zetp
[all …]
H A Dai_verfc.F166 zetq, zetw local
261 zetw = 1.0_dp/(zeta(ipgf) + zetb(jpgf) + zetc)
265 f4 = -zetc*zetw
270 ferf = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq*f0
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_operators_r12.F164 zetw = 1.0_dp/(zeta(ipgf) + zetc(jpgf))
166 rho = zeta(ipgf)*zetc(jpgf)*zetw
179 rcw(:) = -zeta(ipgf)*zetw*rac(:)
247 f5 = 0.5_dp*zetw
249 raw(:) = zetc(jpgf)*zetw*rac(:)
456 f0 = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq
501 f0 = 2.0_dp*SQRT(pi**5*zetw*comega)*zetp*zetq
548 f0 = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq
610 f0 = 2.0_dp*SQRT(pi**5*zetw**3)/(rho + omega)*expT
660 f0 = pi**3*SQRT(zetw**3/(rho + omega)**3)*expT
[all …]
H A Dai_coulomb.F149 rho = zeta(ipgf)*zetc(jpgf)*zetw
172 rcw(:) = -zeta(ipgf)*zetw*rac(:)
240 f5 = 0.5_dp*zetw
242 raw(:) = zetc(jpgf)*zetw*rac(:)
495 rho = zeta(ipgf)*zetc(jpgf)*zetw
518 rcw(:) = -zeta(ipgf)*zetw*rac(:)
586 f5 = 0.5_dp*zetw
588 raw(:) = zetc(jpgf)*zetw*rac(:)
883 f4 = -zetc*zetw
1325 f5 = -zetw/zetp
[all …]
H A Dai_verfc.F166 zetq, zetw local
261 zetw = 1.0_dp/(zeta(ipgf) + zetb(jpgf) + zetc)
265 f4 = -zetc*zetw
270 ferf = 2.0_dp*SQRT(pi**5*zetw)*zetp*zetq*f0