Searched defs:cellXC (Results 1 – 2 of 2) sorted by relevance
| /dports/science/siesta/siesta-4.1.5/Src/SiestaXC/ |
| H A D | cellxc.F90 | 335 character(len=*),parameter :: myName = 'cellXC ' argument
376 i1, i2, i3, ic, ii1, ii2, ii3, ik, in, &
377 ioBox(2,3), ip, iq, is, ix, iuvdw, &
378 jj(3), jn, jp, js, jx, kBox(2,3), kMesh(3), kPoints, ks, &
379 l11, l12, l13, l21, l22, l23, &
380 m11, m12, m13, m21, m22, m23, maxPoints, mesh(3), &
382 ndSpin, nf, nonemptyPoints, nPoints, nq, ns, nXCfunc, &
383 r11, r12, r13, r21, r22, r23
389 dMdX(3,3), DV, dVol, Dtot, dXdM(3,3), &
391 EcuspVDW, Enl, epsC, epsCusp, epsNL, epsX, f1, f2, &
[all …]
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| /dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
| H A D | cellxc.F90 | 222 character(len=*),parameter :: myName = 'cellXC ' argument
263 i1, i2, i3, ic, ii1, ii2, ii3, ik, in, &
264 ioBox(2,3), ip, iq, is, ix, iuvdw, &
265 jj(3), jn, jp, js, jx, kBox(2,3), kMesh(3), kPoints, ks, &
266 l11, l12, l13, l21, l22, l23, &
267 m11, m12, m13, m21, m22, m23, maxPoints, mesh(3), &
269 ndSpin, nf, nonemptyPoints, nPoints, nq, ns, nXCfunc, &
270 r11, r12, r13, r21, r22, r23
276 dMdX(3,3), DV, dVol, Dtot, dXdM(3,3), &
278 EcuspVDW, Enl, epsC, epsCusp, epsNL, epsX, f1, f2, &
[all …]
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