/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | dyndia.f90 | 55 do nu_i = 1, nmodes 56 do nu_j = 1, nu_i 57 dyn (nu_i, nu_j) = 0.5d0 * (dyn (nu_i, nu_j) + & 59 dyn (nu_j, nu_i) = CONJG(dyn (nu_i, nu_j) ) 65 do nu_i = 1, nmodes 66 na = (nu_i - 1) / 3 + 1 71 dyn (nu_i, nu_j) = dyn (nu_i, nu_j) / sqrt (amass (nta)*amass (ntb)) & 88 do nu_i = 1, nmodes 100 dyn (mu, nu_i) = z (mu, nu_i) / sqrt (amu_ry * amass (ityp (na) ) ) 101 unorm = unorm + dyn (mu, nu_i) * CONJG(dyn (mu, nu_i) ) [all …]
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H A D | addusdynmat.f90 | 66 nu_i = 3 * (na - 1) + ipol 77 dynwrk(nu_i, nu_j)=dynwrk(nu_i, nu_j) + & 81 dynwrk(nu_i, nu_j)=dynwrk(nu_i, nu_j) + & 93 dynwrk(nu_i, nu_j)=dynwrk(nu_i, nu_j)+ & 142 dynwrk (nu_i, nu_j) = dynwrk (nu_i, nu_j) + & 163 dyn1(nu_i,nu_j)=dyn1(nu_i,nu_j) + & 169 dyn1(nu_i,nu_j)=dyn1(nu_i,nu_j) + & 179 dyn1(nu_i,nu_j)=dyn1(nu_i,nu_j) + & 194 do nu_i = 1, nmodes 196 dynwrk (nu_i, nu_j) = dynwrk (nu_i, nu_j) + & [all …]
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H A D | drho.f90 | 51 integer :: mode, is, ir, irr, iper, npe, nrstot, nu_i, nu_j, ik, & local 153 do nu_i = 1, 3 * nat 154 call compute_dvloc (nu_i, dvlocin) 158 wdyn (nu_j, nu_i) = wdyn (nu_j, nu_i) + & 179 do nu_i = 1, 3 * nat 180 do nu_j = 1, nu_i 181 dyn00(nu_i,nu_j) = 0.5d0*( dyn00(nu_i,nu_j) + CONJG(dyn00(nu_j,nu_i))) 182 dyn00(nu_j,nu_i) = CONJG(dyn00(nu_i,nu_j)) 221 nu_i = mode+iper 222 call save_buffer (drhoust (1, 1, iper), lrdrhous, iudrhous, nu_i)
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H A D | d2ionq.f90 | 64 integer :: nu_i, nu_j, na, nb, nta, ntb, ng, nrm, nr, icart, & local 128 nu_i = 3 * (na - 1) + icart 131 dy1 (nu_i, nu_j) = dy1 (nu_i, nu_j) + facg * (q (icart) + & 160 nu_i = 3 * (na - 1) + icart 163 dy2 (nu_i, nu_j) = dy2 (nu_i, nu_j) + fnat * g (icart, ng) & 170 do nu_i = 1, nmodes 172 dy3 (nu_i, nu_j) = dy3 (nu_i, nu_j) + dy1 (nu_i, nu_j) - & 173 dy2 (nu_i, nu_j)
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H A D | drhodvus.f90 | 54 integer :: ipert, irr1, mode0, mu, is, nu_i, nu_j, nrtot, & local 80 nu_i = imode0 + mu 82 dyn1 (nu_i, nu_j) = dyn1 (nu_i, nu_j) + & 105 nu_i = imode0 + mu 115 dyn1(nu_i,nu_j)=dyn1(nu_i,nu_j)+ &
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H A D | drhodvloc.f90 | 35 integer :: ipert, is, nu_i, nu_j local 53 nu_i = nu_i0 + ipert 56 dynwrk (nu_i, nu_j) = dynwrk (nu_i, nu_j) + &
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H A D | compute_drhous.f90 | 52 integer :: npw, npwq, ik, ikq, ikk, ig, nu_i, ibnd, ios local 106 do nu_i = 1, 3 * nat 107 call incdrhous (drhous (1, current_spin, nu_i), weight, ik, & 108 dbecsum (1, 1, current_spin, nu_i), evcr, wgg, becq, alpq, nu_i)
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H A D | compute_drhous_nc.f90 | 54 integer :: npw, npwq, ik, ikq, ikk, ig, nu_i, ibnd, ios local 112 do nu_i = 1, 3 * nat 113 call incdrhous_nc (drhous (1, 1, nu_i), weight, ik, & 114 dbecsum (1, 1, 1, 1, nu_i), evcr, wgg, becq, alpq, nu_i)
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H A D | rotate_pattern_add.f90 | 35 INTEGER :: nu_i, nu_j, na_icart, na_jcart local 37 DO nu_i = 1, 3 * nat 42 work = work + CONJG (u (na_icart, nu_i) ) * & 47 dyn (nu_i, nu_j) = dyn (nu_i, nu_j) + work
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H A D | find_mode_sym.f90 | 68 nu_i, mu, & ! counters on modes local 105 DO nu_i = 1, nmodes 108 z (mu, nu_i) = u (mu, nu_i) * SQRT (amu_ry*amass (ityp (na) ) ) 167 nu_i=istart(igroup)+i-1 169 zdotc(3*nat,z(1,nu_i),1,rmode(1,nu_i),1)
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H A D | drhodv.f90 | 65 integer :: mu, ik, ikq, ig, nu_i, nu_j, na_jcart, ibnd, nrec, & local 153 do nu_i = 1, 3 * nat 157 ps = ps + dynwrk (nu_i, na_jcart) * u (na_jcart, nu_j) 159 wdyn (nu_i, nu_j) = wdyn (nu_i, nu_j) + ps
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H A D | compute_nldyn.f90 | 62 jkb, ipol, jpol, startb, lastb, na, nb, nt, ntb, nu_i, nu_j, & local 328 do nu_i = 1, 3 * nat 333 ps = ps + CONJG(u (na_icart, nu_i) ) * dynwrk (na_icart, & 337 wdyn (nu_i, nu_j) = wdyn (nu_i, nu_j) + ps
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H A D | obsolete.f90 | 962 integer :: nu_i, nu_j, na_icart, nb_jcart, ierr local 999 do nu_i = 1, 3 * nat 1004 wrk = wrk + CONJG(u (na_icart, nu_i) ) * & 1009 dyn (nu_i, nu_j) = wrk 1771 imode, imode1, igroup, dim_rap, nu_i, & local 1800 DO nu_i = 1, nmodes 1803 z (mu, nu_i) = u (mu, nu_i) * SQRT (amu_ry*amass (ityp (na) ) ) 1838 nu_i=istart(igroup)+i-1 1841 zdotc(3*nat,z(1,nu_i),1,rmode(1,nu_i),1)
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H A D | dynmat0.f90 | 36 integer :: nu_i, nu_j, na_icart, nb_jcart, ierr local
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H A D | dynmatcc.f90 | 41 na_icart, nb_jcart, nu_i, nu_j local
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/ |
H A D | dyndiar.f90 | 38 DO nu_i=1,nmodes 39 DO nu_j=1,nu_i-1 40 dif = dif + abs(dynout(nu_i,nu_j)-dynout(nu_j,nu_i)) 41 dynout(nu_j,nu_i) = 0.5d0*(dynout(nu_i,nu_j)+dynout(nu_j,nu_i)) 42 dynout(nu_i,nu_j) = dynout(nu_j,nu_i) 66 DO nu_i = 1,nmodes 68 m(nu_i,nu_j) = 0.0d0 72 m(nu_i,nu_j) = m(nu_i,nu_j) + amu_ry*amass(nt)*u(mu,nu_i)*u(mu,nu_j) 89 DO nu_i = 1,nmodes 90 w1 = sqrt(abs(w2(nu_i))) [all …]
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H A D | rhod2vkb.f90 | 56 DO nu_i = 1,nmodes 60 IF ( u(mu_i+1,nu_i) == 0.0d0 .and. & 61 u(mu_i+2,nu_i) == 0.0d0 .and. & 74 dynloc(nu_i,nu_j) = dynloc(nu_i,nu_j) + fac * & 154 nu_i = 3*(na-1) + ipol 160 dynkb(nu_i,nu_j) = dynkb(nu_i,nu_j) + & 169 dynkb(nu_i,nu_j) = dynkb(nu_j,nu_i) 185 DO nu_i = 1,nmodes 186 IF (has_equivalent( (nu_i-1)/3+1)==0 ) THEN 190 dyn0(nu_i,nu_j) = dyn0(nu_i,nu_j) + & [all …]
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H A D | d2ion.f90 | 76 DO nu_i = 1,nmodes 77 IF (has_equivalent( (nu_i-1)/3+1 )==1 ) GOTO 15 78 arg = g(1,ng)*u(mu_i+1,nu_i) + & 79 g(2,ng)*u(mu_i+2,nu_i) + & 80 g(3,ng)*u(mu_i+3,nu_i) 85 dyn(nu_i,nu_j) = dyn(nu_i,nu_j) + facg(nb) * arg * & 136 DO nu_i = 1,nmodes 138 arg = r(1,nr)*u(mu_i+1,nu_i) + & 139 r(2,nr)*u(mu_i+2,nu_i) + & 140 r(3,nr)*u(mu_i+3,nu_i) [all …]
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H A D | dynmatcc.f90 | 32 INTEGER:: i,j,na,nb,nta,ntb,ir,ig,nt, nu_i,nu_j,mu_i,mu_j local 122 DO nu_i=1,nmodes 123 IF ( has_equivalent((nu_i-1)/3+1)==0 ) THEN 131 dyncc(nu_i,nu_j) = dyncc(nu_i,nu_j) + & 132 dyncc1(i,na,j,nb)*u(mu_i,nu_i)*u(mu_j,nu_j)
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H A D | drhodv.f90 | 22 INTEGER :: nu_i local 55 dyn(nu_i,nu_j) = - (dyn(nu_i,nu_j)+dynel(nu_j))
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/doc/Eqs/ |
H A D | pair_adp.tex | 6 …\frac{1}{2} \sum_s (\mu_i^s)^2 + \frac{1}{2} \sum_{s,t} (\lambda_i^{st})^2 - \frac{1}{6} \nu_i^2 \\ 12 \nu_i & = & \sum_s\lambda_i^{ss}
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/dports/math/gretl/gretl-2021d/addons/HIP/doc/ |
H A D | HIP.tex | 563 \nu_i & = & \frac{1}{\sqrt{1- \ScCov' \ScCov}} 594 \ln \left[1-\Phi\left(\nu_i \right)\right] 628 \pder{\ell^c_i}{\theta} = \pder{\ell^c_i}{\nu_i}\pder{\nu_i}{\theta} ; 630 define $\mu(\nu_i)$ as 632 \mu(\nu_i) = \pder{\ell^c_i}{\nu_i} = \Depvar 633 \frac{\phi(\nu_i)}{\Phi(\nu_i)} - (1-\Depvar)\frac{\phi(\nu_i)}{1 634 -\Phi(\nu_i)} 640 \pder{\nu_i}{\VarPar} & = & \pder{\nu_i}{\CondSig} 646 \pder{\nu_i}{\ScCov} & = & 650 \frac{\CondSig^2}{2} \nu_i (-2 \cdot \ScCov') [all …]
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/dports/math/octave-forge-communications/communications-1.2.3/inst/ |
H A D | poly2trellis.m | 149 nu_i = m(i) - 1; variable 150 if (nu_i > 0) 151 states(:,i) = bi2de (statebits(:, offset:offset + nu_i - 1)); 153 newbit(i) = bitshift (1, nu_i); 155 offset += nu_i; 160 if (all (g(i,:) < 2^nu_i) || !any (mod (g(i,:), 2)))
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/dports/math/R-cran-MCMCpack/MCMCpack/man/ |
H A D | MCMCnegbin.Rd | 117 \deqn{y_i \sim \mathcal{P}oisson(\nu_i\mu_i)} 130 \deqn{\nu_i \sim \mathcal{G}amma(\rho, \rho)} 139 slice sampling. The \eqn{\nu_i} are updated their (conjugate) full
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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | pair_adp.rst | 35 …\frac{1}{2} \sum_s (\mu_i^s)^2 + \frac{1}{2} \sum_{s,t} (\lambda_i^{st})^2 - \frac{1}{6} \nu_i^2 \\ 38 \nu_i & = \sum_s\lambda_i^{ss}
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