/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | diagpol.f | 11 . Haux, Saux ) 64 . Saux(ng,nuotot,nuo) 74 Saux = 0.0d0 87 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind)*ckxij 88 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind)*skxij 92 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind) 98 call cdiag( Haux, Saux, nuotot, nuo, nuotot, eo, psi, 109 Saux = 0.0d0 122 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind)*ckxij 123 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind)*skxij [all …]
|
H A D | pdosk.F | 115 Saux(1,juo,iuo) = 0.0d0 116 Saux(2,juo,iuo) = 0.0d0 135 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind) * Ckxij 136 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind) * Skxij 170 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind) * Ckxij 171 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind) * Skxij 184 Saux(1,juo,iuo) = 0.0d0 185 Saux(2,juo,iuo) = 0.0d0 203 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind) * ckxij 204 Saux(2,juo,iuo) = Saux(2,juo,iuo) + S(ind) * skxij [all …]
|
H A D | pdoskp.F | 209 Saux(1,juo,iuo) = 0.0d0 210 Saux(2,juo,iuo) = 0.0d0 230 Saux(1,juo,iuo) = Saux(1,juo,iuo) + Snew(ind) * Ckxij 231 Saux(2,juo,iuo) = Saux(2,juo,iuo) - Snew(ind) * Skxij 265 Saux(1,juo,iuo) = Saux(1,juo,iuo) + Snew(ind)*Ckxij 266 Saux(2,juo,iuo) = Saux(2,juo,iuo) - Snew(ind)*Skxij 278 Saux(1,juo,iuo) = 0.0d0 279 Saux(2,juo,iuo) = 0.0d0 298 Saux(1,juo,iuo) = Saux(1,juo,iuo) + Snew(ind) * ckxij 299 Saux(2,juo,iuo) = Saux(2,juo,iuo) + Snew(ind) * skxij [all …]
|
H A D | diagon.F | 106 use densematrix, only : Haux, Saux, psi 220 . Haux, Saux, psi, nuotot, occtol, iscf, 230 . Haux, Saux, psi, Haux, Saux, aux, 254 . Haux, Saux, psi, Haux, Saux, 264 . Haux, Saux, psi, Haux, Saux, aux, 279 . Haux, Saux, psi, aux, 287 . Saux, psi, Haux, Saux, aux, nuotot, occtol, 296 . Haux, Saux, psi, aux, occtol, iscf, neigwanted) 304 . Haux, Saux, psi, Haux, Saux, aux, 313 . Haux, Saux, psi, aux, [all …]
|
H A D | diagk.F | 174 Saux(:,:,iuo) = 0._dp 186 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind)*ckxij 187 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind)*skxij 281 Saux(:,:,iuo) = 0._dp 292 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind)*ckxij 293 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind)*skxij 301 call cdiag(Haux,Saux,nuotot,nuo,nuotot,aux,psi, 312 Saux(:,:,iuo) = 0._dp 323 Saux(1,juo,iuo)=Saux(1,juo,iuo)+S(ind)*ckxij 324 Saux(2,juo,iuo)=Saux(2,juo,iuo)-S(ind)*skxij [all …]
|
H A D | diag2k.F | 13 . Haux, Saux, psi, Dk, Ek, caux, 185 Saux = dcmplx(0.0_dp,0.0_dp) 205 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 206 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 270 Saux = dcmplx(0.0_dp,0.0_dp) 283 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 284 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 296 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,caux,psi, 304 Saux = dcmplx(0.0_dp,0.0_dp) 316 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs [all …]
|
H A D | diag3k.F | 13 . Haux, Saux, psi, Dk, Ek, caux, 189 Saux = dcmplx(0.0_dp,0.0_dp) 202 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 203 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 269 Saux = dcmplx(0.0_dp,0.0_dp) 281 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 282 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 295 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,caux,psi, 303 Saux = dcmplx(0.0_dp,0.0_dp) 315 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs [all …]
|
H A D | diag2g.F | 12 . Haux, Saux, psi, caux, 106 complex(dp), dimension(2,nuotot,2,nuo) :: Haux, Saux 166 Saux(:,:,:,io) = 0._dp 172 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 173 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 182 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi, 192 Saux(:,:,:,io) = 0._dp 198 Saux(1,jo,1,io) = Saux(1,jo,1,io) +dcmplx( S(ind), 0.0_dp) 199 Saux(2,jo,2,io) = Saux(2,jo,2,io) +dcmplx( S(ind), 0.0_dp) 206 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi,
|
H A D | diag3g.F | 12 . Haux, Saux, psi, caux, 102 complex(dp), dimension(2,nuotot,2,nuo) :: Haux, Saux 155 Saux(:,:,:,io) = 0._dp 161 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 162 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 171 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi, 180 Saux(:,:,:,io) = 0._dp 186 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 187 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 195 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi,
|
H A D | diagkp.F | 241 Saux(1,juo,iuo) = 0.0d0 242 Saux(2,juo,iuo) = 0.0d0 261 Saux(1,juo,iuo) = Saux(1,juo,iuo) + Snew(ind)*ckxij 262 Saux(2,juo,iuo) = Saux(2,juo,iuo) - Snew(ind)*skxij 342 Saux = 0.0d0 358 Saux(1,juo,iuo) = Saux(1,juo,iuo) + Snew(ind)*ckxij 359 Saux(2,juo,iuo) = Saux(2,juo,iuo) - Snew(ind)*skxij 365 call cdiag(Haux,Saux,nuotot,nuotot,nuog,aux,psi, 373 Saux = 0.0d0 388 Saux(1,juo,iuo) = Saux(1,juo,iuo) +Snew(ind)*ckxij [all …]
|
H A D | pdos3g.F | 76 complex(dp) Haux(2,nuotot,2,nuo), Saux(2,nuotot,2,nuo) 103 Saux(:,:,:,io) = 0._dp 109 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 110 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 118 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot, 125 Saux(:,:,:,io) = 0._dp 131 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 132 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 139 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi,
|
H A D | pdos2g.F | 77 complex(dp) Haux(2,nuotot,2,nuo), Saux(2,nuotot,2,nuo) 104 Saux(:,:,:,io) = 0._dp 110 Saux(1,jo,1,io) = Saux(1,jo,1,io) + dcmplx( S(ind), 0.0_dp) 111 Saux(2,jo,2,io) = Saux(2,jo,2,io) + dcmplx( S(ind), 0.0_dp) 120 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot, 127 Saux(:,:,:,io) = 0._dp 133 Saux(1,jo,1,io) = Saux(1,jo,1,io) +dcmplx( S(ind), 0.0_dp) 134 Saux(2,jo,2,io) = Saux(2,jo,2,io) +dcmplx( S(ind), 0.0_dp) 141 call cdiag(Haux,Saux,2*nuotot,2*nuo,2*nuotot,eo,psi,
|
H A D | pdos2k.F | 81 complex(dp) Haux(2,nuotot,2,nuo), Saux(2,nuotot,2,nuo) 118 Saux = dcmplx(0.0_dp,0.0_dp) 131 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 132 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 144 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot, 150 Saux = dcmplx(0.0_dp,0.0_dp) 163 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 164 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 175 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot,
|
H A D | pdos3k.F | 81 complex(dp) Haux(2,nuotot,2,nuo), Saux(2,nuotot,2,nuo) 118 Saux = dcmplx(0.0_dp,0.0_dp) 131 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 132 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 146 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot, 152 Saux = dcmplx(0.0_dp,0.0_dp) 165 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * kphs 166 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * kphs 179 call cdiag( Haux, Saux, 2*nuotot, 2*nuo, 2*nuotot,
|
H A D | diagg.F | 13 & Haux, Saux, psi, nuotot, occtol, 120 real(dp) Haux(nuotot,nuo), Saux(nuotot,nuo) 155 Saux(:,io) = 0._dp 161 Saux(jo,io) = Saux(jo,io) + S(ind) 167 call rdiag( Haux, Saux, nuotot, nuo, nuotot, 181 Saux(:,io) = 0._dp 187 Saux(jo,io) = Saux(jo,io) + S(ind) 192 call rdiag( Haux, Saux, nuotot, nuo, nuotot, eo(1,ispin),
|
H A D | densematrix.f90 | 20 real(dp), public, pointer :: Saux(:) => null() variable 35 call re_alloc(Saux, 1, nSaux, 'Saux', 'densematrix', copy=.false., shrink=.false.) 65 call de_alloc(Saux, 'Saux', 'densematrix') 66 nullify(Saux)
|
H A D | diag2kspiral.F90 | 13 Haux, Saux, psi, Dk, Ek, aux, nuotot, & argument 115 complex(dp), dimension(2,nuotot,2,nuo) :: Haux, Saux, Dk, Ek local 150 call cdiag(Haux,Saux,nuotot2,nuotot2,nuo2,eo(1,ik),psi, & 197 call cdiag(Haux,Saux,nuotot2,nuotot2,nuo2,eo(1,ik),psi, & 206 call cdiag(Haux,Saux,nuotot2,nuotot2,nuo2,eo(1,ik),psi, & 319 Saux = cmplx(0.0_dp, 0.0_dp, dp) 342 Saux(1,juo,1,iuo) = Saux(1,juo,1,iuo) + S(ind) * D11 343 Saux(2,juo,2,iuo) = Saux(2,juo,2,iuo) + S(ind) * D22
|
H A D | diagk_file.F | 18 . Haux, Saux, psi, Dk, Ek, nuotot, occtol, 129 . Haux(2,nuotot,nuo), Saux(2,nuotot,nuo), 165 call cdiag(Haux,Saux,nuotot,nuo,nuotot,eo(1,ispin,ik),psi, 175 call cdiag(Haux,Saux,nuotot,nuo,nuotot,eo(1,ispin,ik),psi, 329 Saux = 0.0_dp 342 Saux(1,juo,iuo) = Saux(1,juo,iuo) + S(ind)*ckxij 343 Saux(2,juo,iuo) = Saux(2,juo,iuo) - S(ind)*skxij
|
H A D | writewave.F | 444 use densematrix, only : Haux, Saux, psi 586 . Haux, Saux, psi, nuotot, occtol, 1, nuotot ) 594 . Haux, Saux, psi, Haux, Saux, aux, nuotot, 604 . Haux, Saux, psi, aux, 612 . Haux, Saux, psi, Haux, Saux, aux, 621 . Haux, Saux, psi, aux, 629 . Haux, Saux, psi, Haux, Saux, aux,
|
H A D | bands.F | 361 use densematrix, only : Haux, Saux, psi 477 . Haux, Saux, psi, Haux, Saux, aux, 486 . Haux, Saux, psi, Haux, Saux, aux, 495 . Haux, Saux, psi, Haux, Saux, aux,
|
H A D | diagonalizeHk.F90 | 89 use densematrix, only: Saux ! Overlap matrix in dense form 274 & epsilon, psi, 2, Haux, Saux )
|
/dports/science/afni/afni-AFNI_21.3.16/src/SUMA/ |
H A D | SUMA_CreateDO.h | 174 #define SDSET_GSAUX(dset) ( ( (dset) && (dset)->Aux && (dset)->Aux->Saux && \ 176 (SUMA_GRAPH_SAUX *)((dset)->Aux->Saux):NULL ) 180 ((SUMA_GRAPH_SAUX *)(dset)->Aux->Saux)->Overlay:NULL ) 183 ((SUMA_CIFTI_SAUX *)(dset)->Aux->Saux)->Overlay:NULL ) 185 #define SDSET_GMATSO(dset) (( (dset) && (dset)->Aux && (dset)->Aux->Saux && \ 187 ((SUMA_GRAPH_SAUX *)(dset)->Aux->Saux)->FrameSO:NULL ) 198 #define TDO_TSAUX(tdo) ( (tdo) ? (SUMA_TRACT_SAUX *)(tdo)->Saux:NULL ) 199 #define CDO_CSAUX(cdo) ( (cdo) ? (SUMA_CIFTI_SAUX *)(cdo)->Saux:NULL ) 200 #define VDO_VSAUX(vo) ( (vo) ? (SUMA_VOL_SAUX *)(vo)->Saux:NULL ) 201 #define SDO_SSAUX(so) ( (so) ? (SUMA_SURF_SAUX *)(so)->Saux:NULL ) [all …]
|
H A D | SUMA_CreateDO.c | 9754 SUMA_free_SegmentDO(Saux->SDO); Saux->SDO = NULL; in SUMA_Free_GSaux() 9759 Saux->nido = SUMA_free_NIDO(Saux->nido); in SUMA_Free_GSaux() 9768 if (Saux->DOCont) SUMA_FreeSurfContStruct(Saux->DOCont); in SUMA_Free_GSaux() 9771 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_GSaux() 9773 if (Saux->thd) SUMA_DestroyNgrHashDatum(Saux->thd); Saux->thd = NULL; in SUMA_Free_GSaux() 9812 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_TSaux() 9849 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_CSaux() 9885 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_MSaux() 9920 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_SSaux() 9965 if (Saux->PR) Saux->PR = SUMA_free_PickResult(Saux->PR); in SUMA_Free_VSaux() [all …]
|
/dports/devel/valgrind/valgrind-dragonfly-dragonfly/none/tests/ppc32/ |
H A D | testVMX.c | 750 if (Saux< 0) in main() 751 Saux=0x7FFF; in main() 755 if (Saux> 0) in main() 756 Saux=0x8000; in main() 2408 Saux=0x7FFF; in part2() 2410 Saux=0x8000; in part2() 3659 Saux = 32767; in part3() 4429 Saux = Saux | (USvec1[1]>>(16-b)); in part3() 4781 Saux = 15; in part3() 5109 Saux = 0; in part3() [all …]
|
/dports/devel/valgrind-lts/valgrind-dragonfly-dragonfly/none/tests/ppc32/ |
H A D | testVMX.c | 750 if (Saux< 0) in main() 751 Saux=0x7FFF; in main() 755 if (Saux> 0) in main() 756 Saux=0x8000; in main() 2408 Saux=0x7FFF; in part2() 2410 Saux=0x8000; in part2() 3659 Saux = 32767; in part3() 4429 Saux = Saux | (USvec1[1]>>(16-b)); in part3() 4781 Saux = 15; in part3() 5109 Saux = 0; in part3() [all …]
|