| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | read_xc_info.F | 24 integer :: nXCfunc
49 nXCfunc = abs(fdf_bintegers(pline,1))
50 if (nXCfunc .gt. MaxFunc) then
53 do n= 1, nXCfunc
83 nXCfunc = 1
91 if ((nXCfunc .gt. 1) .and. (Node .eq. 0)) then
98 do n = 1,nXCfunc
107 call setXC (n=nXCfunc, func=XCfunc, auth=XCauth,
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| H A D | bsc_cellxc.F | 199 integer :: nXCfunc
214 call getXC( nXCfunc, XCfunc, XCauth, XCweightX, XCweightC)
217 do nf = 1,nXCfunc
605 do nf = 1,nXCfunc
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| H A D | atom.F | 2032 call getXC( nXCfunc, XCfunc, XCauth )
2036 do nf = 1,nXCfunc
2043 if (icorr.ne.'ca'.and.nXCfunc.eq.1)
2052 if (icorr.ne.'pw'.and.nXCfunc.eq.1)
2061 if (icorr.ne.'pb'.and.nXCfunc.eq.1)
2070 if (icorr.ne.'bl'.and.nXCfunc.eq.1)
2078 if (icorr.ne.'rp'.and.nXCfunc.eq.1)
2087 if (icorr.ne.'rv'.and.nXCfunc.eq.1)
2096 if (icorr.ne.'wc'.and.nXCfunc.eq.1)
2106 if (icorr.ne.'ps'.and.nXCfunc.eq.1)
[all …]
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| H A D | dhscf.F | 1973 integer :: nf, nXCfunc local
1978 call getXC( nXCfunc, XCfunc, XCauth )
1979 do nf = 1,nXCfunc
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| /dports/science/siesta/siesta-4.1.5/Src/SiestaXC/ |
| H A D | xcmod.f90 | 95 integer, save :: nXCfunc=0 variable
110 nXCfunc = n
135 nf = nXCfunc
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| H A D | atomxc.F90 | 236 ik, in, in1, in2, iq, ir, is, ix, jn, ndSpin, nf, nq, nXCfunc local
278 call getXC( nXCfunc, XCfunc, XCauth, XCweightX, XCweightC )
283 do nf = 1,nXCfunc
519 do nf = 1,nXCfunc
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| H A D | cellxc.F90 | 382 ndSpin, nf, nonemptyPoints, nPoints, nq, ns, nXCfunc, & local
433 call getXC( nXCfunc, XCfunc, XCauth, XCweightX, XCweightC )
452 do nf = 1,nXCfunc
992 do nf = 1,nXCfunc
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| /dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
| H A D | atomxc.F90 | 140 ik, in, in1, in2, iq, ir, is, ix, jn, ndSpin, nf, nq, nXCfunc local
187 call getXC( nXCfunc, XCfunc, XCauth, XCweightX, XCweightC )
192 do nf = 1,nXCfunc
206 allocate(is_libxc(nXCfunc))
208 allocate(xc_func(nXCfunc), xc_info(nXCfunc))
211 do nf = 1,nXCfunc
472 do nf = 1,nXCfunc
588 do nf = 1,nXCfunc
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| H A D | xcmod.F90 | 35 integer, save :: nXCfunc=0
69 nXCfunc = n
194 nf = nXCfunc
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| H A D | cellxc.F90 | 269 ndSpin, nf, nonemptyPoints, nPoints, nq, ns, nXCfunc, & local
323 call getXC( nXCfunc, XCfunc, XCauth, XCweightX, XCweightC )
343 do nf = 1,nXCfunc
370 allocate(is_libxc(nXCfunc))
372 allocate(xc_func(nXCfunc), xc_info(nXCfunc))
375 do nf = 1,nXCfunc
938 do nf = 1,nXCfunc
1157 do nf = 1,nXCfunc
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