| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_cscan.F | 86 double precision ntot,n13,n83,tautot
173 tautot=tau(n,1)
175 tautot=tau(n,1)+tau(n,2)
263 alpha = (tautot - tvw)/tueg
268 alpha = (tautot - tvw)/(tueg + 1d-4)
315 dalphadn = F13*(F8*tvw - F5*tautot)/(tueg*ntot)
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| H A D | xc_cscanl.F | 82 double precision ntot,n13,n83,n53,tautot
167 tautot = tuega*fsa
180 tautot=(tuega*fsa + tuegb*fsb)
300 alpha = (tautot - tvw)/tueg
328 dalphadn = F13*(F8*tvw - F5*tautot)/(tueg*ntot)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_c_scan.F | 88 double precision ntot,n13,n83,tautot
164 tautot=tau(n,1)
166 tautot=tau(n,1)+tau(n,2)
253 alpha = (tautot - tvw)/tueg
281 dalphadn = F13*(F8*tvw - F5*tautot)/(tueg*ntot)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_c_scan.F | 88 double precision ntot,n13,n83,tautot
164 tautot=tau(n,1)
166 tautot=tau(n,1)+tau(n,2)
253 alpha = (tautot - tvw)/tueg
281 dalphadn = F13*(F8*tvw - F5*tautot)/(tueg*ntot)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | wyckoff.f90 | 66 ALLOCATE(tautot(3,nattot))
79 tautot(1,k+l)=outco(1,k,i)
80 tautot(2,k+l)=outco(2,k,i)
81 tautot(3,k+l)=outco(3,k,i)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_cscan.F | 90 double precision ntot,n13,n83,tautot
177 tautot=tau(n,1)
179 tautot=tau(n,1)+tau(n,2)
267 alpha = (tautot - tvw)/tueg
272 alpha = (tautot - tvw)/(tueg + 1d-4*ds)
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| H A D | xc_cscanl.F | 82 double precision ntot,n13,n83,n53,tautot
167 tautot = tuega*fsa
180 tautot=(tuega*fsa + tuegb*fsb)
300 alpha = (tautot - tvw)/tueg
328 dalphadn = F13*(F8*tvw - F5*tautot)/(tueg*ntot)
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| H A D | xc_cr2scan.F | 70 double precision ntot,n13,n83,tautot
212 tautot=tau(n,1)
214 tautot=tau(n,1)+tau(n,2)
217 alpha = (tautot - tvw)/(tueg + eta*tvw)
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| H A D | xc_cr2scanl.F | 72 double precision ntot,n13,n83,n53,tautot
177 tautot = tuega*fsa
190 tautot=(tuega*fsa + tuegb*fsb)
271 alpha = (tautot - tvw)/(tueg + eta*tvw)
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| /dports/math/libpgmath/flang-d07daf3/test/ncar_kernels/PSRAD_lrtm/src/ |
| H A D | mo_lrtm_driver.f90 | 109 REAL(KIND=wp) :: tautot(kbdim,klev,n_gpts_ts) local
314 …tautot(1:kproma,:,:) = taut(1:kproma,:,:) + smp_tau(1:kproma,:,:) ! All-sky optical depth. Mask fo…
355 …CALL lrtm_solver(kproma, kbdim, klev, tautot(:,:,ig), layplnk, levplnk, fracs(:,:,ig), secdiff, bn…
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| /dports/math/libpgmath/flang-d07daf3/test/ncar_kernels/PSRAD_lrtm_Bangalore/src/ |
| H A D | mo_lrtm_driver.f90 | 124 REAL(KIND=wp) :: tautot(kbdim,klev,n_gpts_ts) local
386 …tautot(1:kproma,:,:) = taut(1:kproma,:,:) + smp_tau(1:kproma,:,:) ! All-sky optical depth. Mask fo…
427 …CALL lrtm_solver(kproma, kbdim, klev, tautot(:,:,ig), layplnk, levplnk, fracs(:,:,ig), secdiff, bn…
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| /dports/math/libpgmath/flang-d07daf3/test/ncar_kernels/PSRAD_lrtm_codereview/src/ |
| H A D | mo_lrtm_driver.f90 | 124 REAL(KIND=wp) :: tautot(kbdim,klev,n_gpts_ts) local
406 …tautot(1:kproma,:,:) = taut(1:kproma,:,:) + smp_tau(1:kproma,:,:) ! All-sky optical depth. Mask fo…
447 …CALL lrtm_solver(kproma, kbdim, klev, tautot(:,:,ig), layplnk, levplnk, fracs(:,:,ig), secdiff, bn…
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | input.f90 | 1751 USE wyckoff, ONLY : nattot, tautot, ityptot, extfortot, &
1824 tau(:,:)=tautot(:,:)
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| /dports/science/qbox/qbox-public-rel1_73_3/src/ |
| H A D | SCANFunctional.cpp | 528 double rhotot, tautot = tau_up + tau_dn; in excSCAN_sp() local
815 XCalpha = fabs(tautot - tau_W) / tau_unif; in excSCAN_sp()
|