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Searched refs:tauU (Results 1 – 22 of 22) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_xscan.F130 double precision tauN, tauW, tauU
209 tauU = 0.3d0*Pconst*rhoval**F53
217 a=(tauN-tauW)/tauU
222 a=(tauN-tauW)/(tauU + 1d-4*facttwo**f53)
288 dadg = -F18*rrho/tauU
289 dadt = 1d0/tauU
290 dadr = F13*(8d0*tauW - 5.0*tauN)*rrho/tauU
292 dadg = -F18*rrho/(tauU + 1d-4*facttwo**f53)
293 dadt = 1d0/(tauU + 1d-4*facttwo**f53)
294 dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53)
H A Dxc_xtpss03.F113 double precision tauN, tauW, tauU
191 tauU=0.3d0*P32*rhoval**F53
198 al=(tauN-tauW)/tauU
283 daldt=1.d0/tauU
H A Dxc_xmvs15.F113 double precision tauN, tauW, tauU, gamma
168 tauU = 0.3d0*Pconst*rhoval**F53
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_xscan.F134 double precision tauN, tauW, tauU
213 tauU = 0.3d0*Pconst*rhoval**F53
221 a=(tauN-tauW)/tauU
226 a=(tauN-tauW)/(tauU + 1d-4*facttwo**f53)
292 dadg = -F18*rrho/tauU
293 dadt = 1d0/tauU
296 dadg = -F18*rrho/(tauU + 1d-4*facttwo**f53)
297 dadt = 1d0/(tauU + 1d-4*facttwo**f53)
298 dadr = 5d0/3d0*(p - a)*tauU*rrho/(tauU +1d-4*facttwo**f53)
H A Dxc_xr2scan.F114 double precision tauN, tauW, tauU
194 tauU = 0.3d0*Pconst*rhoval**F53
201 alpha=(tauN-tauW)/(tauU + eta*tauW)
246 dadt = 1d0/(tauU + eta*tauW)
247 dadg = -f18*rrho*(alpha*eta + 1d0)/(tauU + eta*tauW)
248 dadr = f53*tauU*rrho/(tauU + eta*tauW)*(p-alpha+eta*p*alpha)
H A Dxc_xtpss03.F113 double precision tauN, tauW, tauU
191 tauU=0.3d0*P32*rhoval**F53
198 al=(tauN-tauW)/tauU
283 daldt=1.d0/tauU
H A Dxc_xmvs15.F113 double precision tauN, tauW, tauU, gamma
168 tauU = 0.3d0*Pconst*rhoval**F53
H A Dxc_xr2scanl.F118 double precision tauN, tauW, tauU
204 tauU = 0.3d0*Pconst*rho53
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F136 double precision tauN, tauW, tauU
204 tauU = 0.3d0*Pconst*rhoval**F53
211 a=(tauN-tauW)/tauU
258 dadg = -F18*rrho/tauU
259 dadt = 1d0/tauU
260 dadr = F13*(8d0*tauW - 5.0*tauN)*rrho/tauU
H A Dnwpwxc_x_tpss03.F148 double precision tauN, tauW, tauU
226 tauU=0.3d0*P32*rhoval**F53
232 al=(tauN-tauW)/tauU
317 daldt=1.d0/tauU
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_x_scan.F136 double precision tauN, tauW, tauU
204 tauU = 0.3d0*Pconst*rhoval**F53
211 a=(tauN-tauW)/tauU
258 dadg = -F18*rrho/tauU
259 dadt = 1d0/tauU
260 dadr = F13*(8d0*tauW - 5.0*tauN)*rrho/tauU
H A Dnwpwxc_x_tpss03.F148 double precision tauN, tauW, tauU
226 tauU=0.3d0*P32*rhoval**F53
232 al=(tauN-tauW)/tauU
317 daldt=1.d0/tauU
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dscan.f23 real*8 n_13,n_23,n_53,n_83,inv_n,agr2,tauW,tauU local
59 tauU = 0.3d0*P23*n_53
98 alpha = (tau-tauW)/tauU
102 dalpha_dagr = -dtauW_dagr/tauU
103 dalpha_dtau = 1.0d0/tauU
251 real*8 tauU,tauW local
398 tauU = 0.3d0*P23*n_53
411 dalpha_dtau = 1.0d0/tauU
525 real*8 ds,dds_dzeta,tauU,tauW local
745 tauU = 0.3d0*P23*ds*n_53
[all …]
H A Dm06-l.f45 real*8 tauU,t,dt_dn,dt_dtau
188 tauU = P23*n_53
189 t = tauU/tau
450 real*8 tauU,t,dt_dn,dt_dtau
602 tauU = P23*nup_53
603 t = tauU/tauup
708 tauU = P23*ndn_53
709 t = tauU/taudn
H A Dm06.f45 real*8 tauU,t,dt_dn,dt_dtau local
188 tauU = P23*n_53
189 t = tauU/tau
450 real*8 tauU,t,dt_dn,dt_dtau local
609 tauU = P23*nup_53
610 t = tauU/tauup
715 tauU = P23*ndn_53
716 t = tauU/taudn
H A Dm06_xc.f21 real*8 tauU,t,dt_dn,dt_dtau local
34 tauU = P23*n_53
35 t = tauU/tau
H A Dtpss03.f20 real*8 n_13,n_53,n_83,inv_n,agr2,tauW,tauU local
49 tauU = 0.3d0*P23*n_53
78 dalpha_dtau = 1.0d0/tauU
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dscan.f20 real*8 n_13,n_53,n_83,inv_n,agr2,tauW,tauU
50 tauU = 0.3d0*P23*n_53
78 dalpha_dtau = 1.0d0/tauU
216 real*8 tauU,tauW
362 tauU = 0.3d0*P23*n_53
390 dalpha_dtau = 1.0d0/tauU
504 real*8 ds,dds_dzeta,tauU,tauW
723 tauU = 0.3d0*P23*ds*n_53
758 dalpha_dtauup = 1.0d0/tauU
H A Dtpss03.f20 real*8 n_13,n_53,n_83,inv_n,agr2,tauW,tauU
49 tauU = 0.3d0*P23*n_53
78 dalpha_dtau = 1.0d0/tauU
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/
H A Dnwxc_x_tpss03.F229 type(nwad_dble)::tauN, tauW, tauU
307 tauU=0.3d0*P32*rhoval**F53
317 al=(tauN-tauW)/tauU
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/
H A Dnwxc_x_tpss03.F229 type(nwad_dble)::tauN, tauW, tauU
307 tauU=0.3d0*P32*rhoval**F53
317 al=(tauN-tauW)/tauU
/dports/math/R-cran-quantreg/quantreg/R/
H A Dquantreg.R337 tauU <- pmin(tau + bn, 1 - 1/df) functionVar
343 pu <- yhat[cbind(1:n, cut(tauU, tauhat, label = FALSE))]