Home
last modified time | relevance | path

Searched refs:zet (Results 1 – 25 of 2232) sorted by relevance

12345678910>>...90

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw/
H A Ddg_rho0_types.F48 REAL(KIND=dp), DIMENSION(:), POINTER :: zet component
67 gcc, zet, density) argument
72 REAL(KIND=dp), OPTIONAL, POINTER :: gcc(:), zet(:) local
81 IF (PRESENT(zet)) dg_rho0%zet => zet
113 IF (PRESENT(zet)) zet => dg_rho0%zet
131 NULLIFY (dg_rho0%zet)
184 IF (ASSOCIATED(dg_rho0%zet)) THEN
185 DEALLOCATE (dg_rho0%zet)
189 NULLIFY (dg_rho0%zet)
211 CALL dg_rho0_pme_gauss(dg_rho0%density, dg_rho0%zet(1))
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/pw/
H A Ddg_rho0_types.F48 REAL(KIND=dp), DIMENSION(:), POINTER :: zet component
67 gcc, zet, density) argument
72 REAL(KIND=dp), OPTIONAL, POINTER :: gcc(:), zet(:) local
81 IF (PRESENT(zet)) dg_rho0%zet => zet
112 IF (PRESENT(zet)) zet => dg_rho0%zet
130 NULLIFY (dg_rho0%zet)
183 IF (ASSOCIATED(dg_rho0%zet)) THEN
184 DEALLOCATE (dg_rho0%zet)
188 NULLIFY (dg_rho0%zet)
210 CALL dg_rho0_pme_gauss(dg_rho0%density, dg_rho0%zet(1))
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/external/libbeef/
H A Dpbecor.c171 /* Subroutine */ void corpbespin(double rs, double t, double zet, in corpbespin() argument
237 z4 = zet*zet*zet*zet; in corpbespin()
238 f = (pow(1.+zet,4./3.)+pow(1.-zet,4./3.)-2.)/GAM; in corpbespin()
248 fz = 4./3.*(pow(1.+zet,1./3.)-pow(1.-zet,1./3.))/GAM; in corpbespin()
249 eczet = 4.*pow(zet,3)*f*(ep-eu+alfm/fzz)+fz*(z4*ep-z4*eu-(1.-z4)*alfm/fzz); in corpbespin()
250 comm = *ec - rs*ecrs/3. - zet*eczet; in corpbespin()
263 g = 0.5*(pow(1.+zet,2./3.)+pow(1.-zet,2./3.)); in corpbespin()
266 dg = (1./3.) * (pow(1.+zet,-1./3.)-pow(1.-zet,-1./3.)); in corpbespin()
288 + tmp4*(1.-zet); in corpbespin()
290 - tmp4*(1.+zet); in corpbespin()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dpw92c.f89 real*8 zet
116 zet = (nup-ndn)/n
117 zet_nup = -(zet - 1.0d0)
118 zet_ndn = -(zet + 1.0d0)
119 zetpm_1_3 = (1.0d0+zet*alpha_zeta)**onethirdm
120 zetmm_1_3 = (1.0d0-zet*alpha_zeta)**onethirdm
124 F =( (1.0d0+zet*alpha_zeta)*zetp_1_3
125 > + (1.0d0-zet*alpha_zeta)*zetm_1_3
145 z4 = zet**4
160 > - zet * ec_lda_zet
[all …]
H A Dpbe96c.f107 real*8 zet,twoksg local
159 zet = (nup-ndn)/n
167 zet_nup = -(zet - 1.0d0)
168 zet_ndn = -(zet + 1.0d0)
216 z4 = zet**4
269 > - zet * ec_lda_zet
272 > - zet * ec_lda_zet
410 real*8 zet,twoksg local
456 zet = 1.0d0
513 z4 = zet**4
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dpw92c.f89 real*8 zet
116 zet = (nup-ndn)/n
117 zet_nup = -(zet - 1.0d0)
118 zet_ndn = -(zet + 1.0d0)
119 zetpm_1_3 = (1.0d0+zet*alpha_zeta)**onethirdm
120 zetmm_1_3 = (1.0d0-zet*alpha_zeta)**onethirdm
124 F =( (1.0d0+zet*alpha_zeta)*zetp_1_3
125 > + (1.0d0-zet*alpha_zeta)*zetm_1_3
145 z4 = zet**4
160 > - zet * ec_lda_zet
[all …]
H A Dpbe96c.f107 real*8 zet,twoksg
159 zet = (nup-ndn)/n
167 zet_nup = -(zet - 1.0d0)
168 zet_ndn = -(zet + 1.0d0)
216 z4 = zet**4
269 > - zet * ec_lda_zet
272 > - zet * ec_lda_zet
410 real*8 zet,twoksg
456 zet = 1.0d0
513 z4 = zet**4
[all …]
/dports/science/xcfun/xcfun-2.1.1-1-gf87ca0e/src/functionals/
H A Dm0xy_fun.hpp64 template <typename num> static num zet(const num & rho, const num & tau) { in zet() function
74 static num gamma(const parameter alpha, const num & chi2, const num & zet) { in gamma() argument
75 return 1 + alpha * (chi2 + zet); in gamma()
88 const num & zet) { in h() argument
89 num gam1 = gamma(alpha, chi2, zet); in h()
92 num t2 = (d[1] * chi2 + d[2] * zet) / (gam1 * gam1); in h()
94 (chi2 * (d[3] * chi2 + d[4] * zet) + d[5] * zet * zet) / (gam1 * gam1 * gam1); in h()
206 const num & zet, in m06_c_para() argument
212 h(param_d, alpha_c_parallel, chi2, zet)) * in m06_c_para()
/dports/devel/level-zero/level-zero-1.7.4/source/loader/
H A Dzet_ldrddi.cpp94 auto pfnAttach = dditable->zet.Debug.pfnAttach; in zetDebugAttach()
132 auto pfnDetach = dditable->zet.Debug.pfnDetach; in zetDebugDetach()
170 auto pfnReadEvent = dditable->zet.Debug.pfnReadEvent; in zetDebugReadEvent()
220 auto pfnInterrupt = dditable->zet.Debug.pfnInterrupt; in zetDebugInterrupt()
245 auto pfnResume = dditable->zet.Debug.pfnResume; in zetDebugResume()
273 auto pfnReadMemory = dditable->zet.Debug.pfnReadMemory; in zetDebugReadMemory()
430 auto pfnGet = dditable->zet.MetricGroup.pfnGet; in zetMetricGroupGet()
538 auto pfnGet = dditable->zet.Metric.pfnGet; in zetMetricGet()
647 auto pfnOpen = dditable->zet.MetricStreamer.pfnOpen; in zetMetricStreamerOpen()
936 auto pfnReset = dditable->zet.MetricQuery.pfnReset; in zetMetricQueryReset()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/eri_mme/
H A Deri_mme_test.F62 INTENT(IN) :: zet local
85 nzet = SIZE(zet)
101 … CALL eri_mme_2c_integrate(param, 0, l_max, 0, l_max, zet(izet), zet(izet), rabc(:, iab), &
119 CALL eri_mme_2c_integrate(param, 0, l, 0, l, zet(izet), zet(izet), rabc(:, iab), &
149 l, zet(izet), time(l, izet)/nrep, acc
187 SUBROUTINE eri_mme_3c_perf_acc_test(param, l_max, zet, rabc, nrep, nsample, & argument
192 INTENT(IN) :: zet local
218 nzet = SIZE(zet)
231 CALL overlap_dist_expansion_test(l_max, l_max, zet(izeta), zet(izetb), &
274 … CALL eri_mme_3c_integrate(param, 0, la, 0, lb, 0, lc, zet(izeta), zet(izetb), zet(izetc), &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/eri_mme/
H A Deri_mme_test.F62 INTENT(IN) :: zet local
85 nzet = SIZE(zet)
101 … CALL eri_mme_2c_integrate(param, 0, l_max, 0, l_max, zet(izet), zet(izet), rabc(:, iab), &
119 CALL eri_mme_2c_integrate(param, 0, l, 0, l, zet(izet), zet(izet), rabc(:, iab), &
149 l, zet(izet), time(l, izet)/nrep, acc
187 SUBROUTINE eri_mme_3c_perf_acc_test(param, l_max, zet, rabc, nrep, nsample, & argument
192 INTENT(IN) :: zet local
218 nzet = SIZE(zet)
231 CALL overlap_dist_expansion_test(l_max, l_max, zet(izeta), zet(izetb), &
274 … CALL eri_mme_3c_integrate(param, 0, la, 0, lb, 0, lc, zet(izeta), zet(izetb), zet(izetc), &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dauto_basis.F190 zet = 0.0_dp
205 DEALLOCATE (zet)
327 ALLOCATE (zet(1, nsets))
328 zet = 0.0_dp
355 DEALLOCATE (zet)
474 zet = 0.0_dp
571 DEALLOCATE (zet)
606 zet=zet, &
635 zeta = zet(i, iset) + zet(j, iset)
718 p = zet(ia) + zet(ib) + amet
[all …]
H A Dewald_pw_methods.F163 REAL(dp), POINTER :: gcc(:), zet(:) local
168 CALL dg_rho0_get(dg_rho0, gcc=gcc, zet=zet)
173 IF (.NOT. ASSOCIATED(zet)) THEN
174 ALLOCATE (zet(1))
180 zet(1) = alpha
181 CALL dg_rho0_set(dg_rho0, TYPE=ewald_type, zet=zet)
H A Dlri_optimize_ri_basis.F291 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
295 NULLIFY (fbas, gcc_orig, npgf, nshell, zet)
314 npgf=npgf, nset=nset, zet=zet)
319 x(n + 1) = MAXVAL(zet(1:npgf(iset), iset))
320 x(n + 2) = MINVAL(zet(1:npgf(iset), iset))
354 npgf=npgf, nset=nset, nshell=nshell, zet=zet)
473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet)
482 zet => x(1:nvar_exp)
495 zet => fbas%zet(1:npgf(iset), iset)
584 zet(i) = zet_max*q**(i - 1)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dauto_basis.F181 zet = 0.0_dp
196 DEALLOCATE (zet)
313 ALLOCATE (zet(1, nsets))
314 zet = 0.0_dp
341 DEALLOCATE (zet)
460 zet = 0.0_dp
557 DEALLOCATE (zet)
592 zet=zet, &
621 zeta = zet(i, iset) + zet(j, iset)
704 p = zet(ia) + zet(ib) + amet
[all …]
H A Dewald_pw_methods.F163 REAL(dp), POINTER :: gcc(:), zet(:) local
168 CALL dg_rho0_get(dg_rho0, gcc=gcc, zet=zet)
173 IF (.NOT. ASSOCIATED(zet)) THEN
174 ALLOCATE (zet(1))
180 zet(1) = alpha
181 CALL dg_rho0_set(dg_rho0, TYPE=ewald_type, zet=zet)
H A Dlri_optimize_ri_basis.F291 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
295 NULLIFY (fbas, gcc_orig, npgf, nshell, zet)
314 npgf=npgf, nset=nset, zet=zet)
319 x(n + 1) = MAXVAL(zet(1:npgf(iset), iset))
320 x(n + 2) = MINVAL(zet(1:npgf(iset), iset))
354 npgf=npgf, nset=nset, nshell=nshell, zet=zet)
473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet)
482 zet => x(1:nvar_exp)
495 zet => fbas%zet(1:npgf(iset), iset)
584 zet(i) = zet_max*q**(i - 1)
[all …]
/dports/editors/kate/kate-21.12.3/po/hu/
H A Dktexteditorpreviewplugin.po23 msgstr "Előnézet"
33 msgstr "Előnézet rögzítése a jelenlegi dokumentumhoz"
38 msgstr "Jelenlegi nézet feloldása"
43 msgstr "Jelenlegi nézet feloldása"
48 msgstr "Előnézet automatikus frissítése"
59 msgstr "Előnézet frissítése kézzel"
71 msgstr "Előnézet frissítése"
76 msgstr "A jelenlegi dokumentum tartalma előnézetének frissítése"
81 msgstr "Nézet"
86 msgstr "Nem érhető el előnézet."
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dsoft_basis_set.F74 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
77 NULLIFY (gcc, l, lmax, lmin, n, npgf, nshell, zet)
98 CALL reallocate(zet, 1, maxpgf, 1, nset)
109 minzet = orb_basis%zet(orb_basis%npgf(iset), iset)
111 IF (orb_basis%zet(ipgf, iset) < minzet) THEN
112 minzet = orb_basis%zet(ipgf, iset)
147 IF (orb_basis%zet(ipgf, iset) > 100.0_dp) THEN
163 zet(ipgf_s, iset_s) = orb_basis%zet(ipgf, iset)
197 CALL reallocate(soft_basis%zet, 1, maxpgf_s, 1, nset_s)
215 soft_basis%zet(ipgf, iset) = zet(ipgf, iset)
[all …]
H A Dbasis_set_types.F306 bout%zet = bin%zet
356 zet(ip, l) = basis_set%zet(ipgf, iset)
365 zet(1:nprim(l), l) = -zet(1:nprim(l), l)
734 IF (PRESENT(zet)) zet => gto_basis_set%zet
1931 IF (PRESENT(zet)) gto_basis_set%zet(:, :) = zet(:, :)
2167 IF (PRESENT(zet)) zet => sto_basis_set%zet
2232 sto_basis_set%zet = zet(:)
2451 lq=lq, zet=zet)
2654 ab = 1._dp/(zet(i) + zet(j))
2768 zet=zet)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dsoft_basis_set.F74 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
77 NULLIFY (gcc, l, lmax, lmin, n, npgf, nshell, zet)
98 CALL reallocate(zet, 1, maxpgf, 1, nset)
109 minzet = orb_basis%zet(orb_basis%npgf(iset), iset)
111 IF (orb_basis%zet(ipgf, iset) < minzet) THEN
112 minzet = orb_basis%zet(ipgf, iset)
147 IF (orb_basis%zet(ipgf, iset) > 100.0_dp) THEN
163 zet(ipgf_s, iset_s) = orb_basis%zet(ipgf, iset)
197 CALL reallocate(soft_basis%zet, 1, maxpgf_s, 1, nset_s)
215 soft_basis%zet(ipgf, iset) = zet(ipgf, iset)
[all …]
H A Dbasis_set_types.F301 bout%zet = bin%zet
351 zet(ip, l) = basis_set%zet(ipgf, iset)
360 zet(1:nprim(l), l) = -zet(1:nprim(l), l)
568 bout%zet(1:nc, nseto + iset) = bad%zet(1:nc, iset)
729 IF (PRESENT(zet)) zet => gto_basis_set%zet
1918 IF (PRESENT(zet)) gto_basis_set%zet(:, :) = zet(:, :)
2154 IF (PRESENT(zet)) zet => sto_basis_set%zet
2219 sto_basis_set%zet = zet(:)
2337 sto_basis_set%zet(iset) = zet
2438 lq=lq, zet=zet)
[all …]
/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DPBEFunctional.cpp402 double zet = ( rho_up - rho_dn ) / rhotot; in excpbe_sp() local
403 double g = 0.5 * ( pow(1.0+zet, third2) + pow(1.0-zet, third2) ); in excpbe_sp()
416 double z4 = zet * zet * zet * zet; in excpbe_sp()
417 double f = (pow(1.0+zet,third4)+pow(1.0-zet,third4)-2.0)/gam; in excpbe_sp()
424 double fz = third4 * ( pow(1.0+zet,third) - pow(1.0-zet,third))/gam; in excpbe_sp()
425 double eczet = 4.0 * (zet*zet*zet) * f * ( ep - eu + alfm/fzz ) + in excpbe_sp()
427 double comm = ec - rs * ecrs * third - zet * eczet; in excpbe_sp()
449 double gz = ( pow ( (1.0+zet)*(1.0+zet) + eta, sixthm ) - in excpbe_sp()
450 pow ( (1.0-zet)*(1.0-zet) + eta, sixthm ) ) * third; in excpbe_sp()
464 ccomm -= pref * zet; in excpbe_sp()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals_init.F59 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
64 zet => basis%zet
78 aif = 1.0_dp/((2._dp*zet(ipgf, iset))**l)
115 aai = basis%zet(ipgf, iset)
118 aaj = basis%zet(jpgf, iset)
158 zet_orb => orb_basis%zet
162 zet_ri => ri_basis%zet
233 zet = zet_orb(ipgf, iset) + zet_ri(jpgf, jset)
234 cjf = 1.0_dp/((2._dp*zet)**l)
272 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals_init.F59 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
64 zet => basis%zet
78 aif = 1.0_dp/((2._dp*zet(ipgf, iset))**l)
115 aai = basis%zet(ipgf, iset)
118 aaj = basis%zet(jpgf, iset)
158 zet_orb => orb_basis%zet
162 zet_ri => ri_basis%zet
233 zet = zet_orb(ipgf, iset) + zet_ri(jpgf, jset)
234 cjf = 1.0_dp/((2._dp*zet)**l)
272 REAL(KIND=dp), DIMENSION(:, :), POINTER :: zet local
[all …]

12345678910>>...90