| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | ener3.F | 12 . ncmax,nctmax,nfmax,nhmax,nhijmax,numc,listc,
82 . no_u,no_l,nbands,ncmax,nctmax,nfmax,nhmax,nhijmax,
88 . listh(nhmax),listhptr(no_l),listhij(nhijmax,nbandsloc),
142 call re_alloc( bux1s, 1, nhijmax, 1, nbandsloc, 'bux1s', 'ener3' )
143 call re_alloc( bux2s, 1, nhijmax, 1, nbandsloc, 'bux2s', 'ener3' )
144 call re_alloc( bux3s, 1, nhijmax, 1, nbandsloc, 'bux3s', 'ener3' )
145 call re_alloc( bux4s, 1, nhijmax, 1, nbandsloc, 'bux4s', 'ener3' )
146 call re_alloc( bux5s, 1, nhijmax, 1, nbandsloc, 'bux5s', 'ener3' )
147 call re_alloc( bux6s, 1, nhijmax, 1, nbandsloc, 'bux6s', 'ener3' )
190 do j = 1,nhijmax
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| H A D | ener3lomem.F | 9 . nbands,ncmax,nctmax,nfmax,nhmax,nhijmax,
79 . nbasis,nbasisloc,nbands,ncmax,nctmax,nfmax,nhmax,nhijmax,
85 . listh(nhmax),listhptr(nbasisloc),listhij(nhijmax,nbandsloc),
118 call re_alloc( bux1s, 1, nhijmax, 1, nbandsloc, 'bux1s', 'ener3' )
119 call re_alloc( bux2s, 1, nhijmax, 1, nbandsloc, 'bux2s', 'ener3' )
152 do j = 1,nhijmax
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| H A D | gradient.F | 12 . nctmax,nfmax,nftmax,nhmax,nhijmax,
92 . nhijmax,no_cl,nspin,Node
98 . listh(nhmax),listhptr(no_l),listhij(nhijmax,nbandsloc),
142 call re_alloc( bux1save, 1, nhijmax, 1, nbandsloc, 'bux1save',
144 call re_alloc( bux2save, 1, nhijmax, 1, nbandsloc, 'bux2save',
175 do j = 1,nhijmax
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| H A D | gradientlomem.F | 9 . ncmax,nctmax,nfmax,nftmax,nhmax,nhijmax,
88 . nhijmax,nbasisCloc,nspin,Node
94 . listh(nhmax),listhptr(nbasisloc),listhij(nhijmax,nbandsloc),
137 call re_alloc( bux1save, 1, nhijmax, 1, nbandsloc, 'bux1save',
139 call re_alloc( bux2save, 1, nhijmax, 1, nbandsloc, 'bux2save',
168 do j = 1,nhijmax
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| H A D | atomlwf.F | 10 . maxnc,ncmax,nctmax,nfmax,nftmax,nhijmax,nbands, argument
96 $ nbands,ncmax,nctmax, nfmax,nftmax,nhijmax, local
249 nhijmax = 0
505 nhijmax = nbands
551 nhijmax = max ( nhijmax , nhij )
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| H A D | denmat.F | 12 . nctmax,nfmax,nftmax,nhmax,nhijmax,numc,listc,
103 . no_u,no_l,nbands,ncmax,nctmax,nfmax,nhmax,nhijmax,
109 . listh(nhmax),listhptr(no_l),listhij(nhijmax,nbandsloc),
185 call re_alloc( chcrowsave, 1, nhijmax, 1, nbandsloc,
188 call re_alloc( cscrowsave, 1, nhijmax, 1, nbandsloc,
225 do j = 1,nhijmax
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| H A D | denmatlomem.F | 9 . ncmax,nctmax,nfmax,nftmax,nhmax,nhijmax,
102 . nbasis,nbasisloc,nbands,ncmax,nctmax,nfmax,nhmax,nhijmax,
108 . listh(nhmax),listhptr(nbasisloc),listhij(nhijmax,nbandsloc),
181 call re_alloc( chscrowsave, 1, nhijmax, 1, nbandsloc,
217 do j = 1,nhijmax
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| H A D | ordern.F | 128 . nfmax, nftmax, nhijmax, nbands, nh, gen_istep
226 . nhijmax,nbands,no_cl,nspin,Node)
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| /dports/science/siesta/siesta-4.1.5/Docs/ |
| H A D | CHANGES | 19994 and nhijmax are no longer determined here since the
20020 gradient.F Variables nfmax/nhijmax globalised
20031 nfmax, nftmax, nhijmax.
20033 nhijmax
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