/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mp2_grad/ |
H A D | mp2_make_dip_mom.F | 24 double precision ndip(3) 91 if (.not. geom_nuc_dipole(geom,ndip)) 97 write(6,2) 'X', ndip(1), scfx+ndip(1),mp2x+scfx+ndip(1) 98 write(6,2) 'Y', ndip(2), scfy+ndip(2),mp2y+scfy+ndip(2) 99 write(6,2) 'Z', ndip(3), scfz+ndip(3),mp2z+scfz+ndip(3) 112 ndip(1) = mp2x+scfx+ndip(1) 113 ndip(2) = mp2y+scfy+ndip(2) 114 ndip(3) = mp2z+scfz+ndip(3) 116 if (.not. rtdb_put(rtdb,'mp2:dipole',mt_dbl,3,ndip)) 119 call ecce_print1('total dipole', mt_dbl, ndip, 3)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/mp2_grad/ |
H A D | mp2_make_dip_mom.F | 24 double precision ndip(3) 91 if (.not. geom_nuc_dipole(geom,ndip)) 97 write(6,2) 'X', ndip(1), scfx+ndip(1),mp2x+scfx+ndip(1) 98 write(6,2) 'Y', ndip(2), scfy+ndip(2),mp2y+scfy+ndip(2) 99 write(6,2) 'Z', ndip(3), scfz+ndip(3),mp2z+scfz+ndip(3) 112 ndip(1) = mp2x+scfx+ndip(1) 113 ndip(2) = mp2y+scfy+ndip(2) 114 ndip(3) = mp2z+scfz+ndip(3) 116 if (.not. rtdb_put(rtdb,'mp2:dipole',mt_dbl,3,ndip)) 119 call ecce_print1('total dipole', mt_dbl, ndip, 3)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/init/ |
H A D | rt_tddft_init_geoms.F | 73 double precision ndip(3) 155 if (.not. geom_nuc_dipole (geom_tmp, ndip)) 248 params%geom(ig)%ndip%x = ndip(1) 249 params%geom(ig)%ndip%y = ndip(2) 250 params%geom(ig)%ndip%z = ndip(3) 304 $ params%geom(ig)%ndip%x, 305 $ params%geom(ig)%ndip%y, 306 $ params%geom(ig)%ndip%z
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/init/ |
H A D | rt_tddft_init_geoms.F | 73 double precision ndip(3) 155 if (.not. geom_nuc_dipole (geom_tmp, ndip)) 248 params%geom(ig)%ndip%x = ndip(1) 249 params%geom(ig)%ndip%y = ndip(2) 250 params%geom(ig)%ndip%z = ndip(3) 304 $ params%geom(ig)%ndip%x, 305 $ params%geom(ig)%ndip%y, 306 $ params%geom(ig)%ndip%z
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/dports/multimedia/v4l_compat/linux-5.13-rc2/fs/gfs2/ |
H A D | inode.c | 1406 error = gfs2_qa_get(ndip); in gfs2_rename() 1410 if (odip != ndip) { in gfs2_rename() 1427 if (odip != ndip) { in gfs2_rename() 1517 if (odip != ndip) { in gfs2_rename() 1591 gfs2_inplace_release(ndip); in gfs2_rename() 1594 gfs2_quota_unlock(ndip); in gfs2_rename() 1609 gfs2_qa_put(ndip); in gfs2_rename() 1645 if (odip != ndip) { in gfs2_exchange() 1668 if (odip != ndip) { in gfs2_exchange() 1734 if (odip != ndip) { in gfs2_exchange() [all …]
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/dports/multimedia/libv4l/linux-5.13-rc2/fs/gfs2/ |
H A D | inode.c | 1406 error = gfs2_qa_get(ndip); in gfs2_rename() 1410 if (odip != ndip) { in gfs2_rename() 1427 if (odip != ndip) { in gfs2_rename() 1517 if (odip != ndip) { in gfs2_rename() 1591 gfs2_inplace_release(ndip); in gfs2_rename() 1594 gfs2_quota_unlock(ndip); in gfs2_rename() 1609 gfs2_qa_put(ndip); in gfs2_rename() 1645 if (odip != ndip) { in gfs2_exchange() 1668 if (odip != ndip) { in gfs2_exchange() 1734 if (odip != ndip) { in gfs2_exchange() [all …]
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/dports/multimedia/v4l-utils/linux-5.13-rc2/fs/gfs2/ |
H A D | inode.c | 1406 error = gfs2_qa_get(ndip); in gfs2_rename() 1410 if (odip != ndip) { in gfs2_rename() 1427 if (odip != ndip) { in gfs2_rename() 1517 if (odip != ndip) { in gfs2_rename() 1591 gfs2_inplace_release(ndip); in gfs2_rename() 1594 gfs2_quota_unlock(ndip); in gfs2_rename() 1609 gfs2_qa_put(ndip); in gfs2_rename() 1645 if (odip != ndip) { in gfs2_exchange() 1668 if (odip != ndip) { in gfs2_exchange() 1734 if (odip != ndip) { in gfs2_exchange() [all …]
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/dports/www/chromium-legacy/chromium-88.0.4324.182/native_client/src/trusted/desc/ |
H A D | nacl_desc_quota_test.c | 216 struct NaClDescIoDesc *ndip = NULL; in main() local 274 if (NULL == (ndip = NaClDescIoDescOpen(file_path, in main() 306 (struct NaClDesc *) ndip, in main() 321 ndip = NULL; /* object_under_test has ownership */ in main() 356 NaClDescSafeUnref((struct NaClDesc *) ndip); in main()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/rtutils/ |
H A D | rt_tddft_calc.F | 175 dipmom%x = params%geom(ig)%ndip%x - dipmom%x 184 dipmom%y = params%geom(ig)%ndip%y - dipmom%y 193 dipmom%z = params%geom(ig)%ndip%z - dipmom%z
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/rtutils/ |
H A D | rt_tddft_calc.F | 175 dipmom%x = params%geom(ig)%ndip%x - dipmom%x 184 dipmom%y = params%geom(ig)%ndip%y - dipmom%y 193 dipmom%z = params%geom(ig)%ndip%z - dipmom%z
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_wtrest.F | 48 write(lfn,1014) nfdip,ndip,rdip
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H A D | argos_rdrest.F | 59 read(lfn,1014) nfdip,ndip,rdip
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H A D | argos.fh | 150 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa, 182 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa,
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H A D | argos_rdinp.F | 233 ndip=0 956 ndip=0
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_wtrest.F | 48 write(lfn,1014) nfdip,ndip,rdip
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H A D | argos_rdrest.F | 59 read(lfn,1014) nfdip,ndip,rdip
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H A D | argos.fh | 150 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa, 182 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/vscf/ |
H A D | vscf.F | 1991 SUBROUTINE VSCF_RDDIAG(RQ,DQ,diagV,DMX,DMY,DMZ,NM,N,ndip, 2007 if (ndip.eq.1) then 2041 if (ndip.eq.1) then 2055 SUBROUTINE RDCOUP(coupV,NM,N,NSTART,dm2x,dm2y,dm2z,lcoup,ndip) 2070 if (ndip.eq.1) then 2111 if (ndip.eq.1) then 2584 & dm1z,dm2x,dm2y,dm2z,coupv,tripv,ndip) 2655 CALL VSCF_RDDIAG(rq,dq,diagv,dm1x,dm1y,dm1z,nnm,ngrid,ndip, 2660 CALL RDCOUP(coupv,nnm,ngrid,nstart,dm2x,dm2y,dm2z,lcoup,ndip)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/vscf/ |
H A D | vscf.F | 1991 SUBROUTINE VSCF_RDDIAG(RQ,DQ,diagV,DMX,DMY,DMZ,NM,N,ndip, 2007 if (ndip.eq.1) then 2041 if (ndip.eq.1) then 2055 SUBROUTINE RDCOUP(coupV,NM,N,NSTART,dm2x,dm2y,dm2z,lcoup,ndip) 2070 if (ndip.eq.1) then 2111 if (ndip.eq.1) then 2584 & dm1z,dm2x,dm2y,dm2z,coupv,tripv,ndip) 2655 CALL VSCF_RDDIAG(rq,dq,diagv,dm1x,dm1y,dm1z,nnm,ngrid,ndip, 2660 CALL RDCOUP(coupv,nnm,ngrid,nstart,dm2x,dm2y,dm2z,lcoup,ndip)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
H A D | hess_cphf.F | 24 integer nbf2, ndns, ndip 354 ndip = 3 356 $ ocphfprint, nocc, nvirt, ndens, ndip, nbf)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
H A D | hess_cphf.F | 24 integer nbf2, ndns, ndip 354 ndip = 3 356 $ ocphfprint, nocc, nvirt, ndens, ndip, nbf)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwmd/ |
H A D | md_common.fh | 138 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa, 170 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa,
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H A D | md_start.F | 560 ndip=0 1304 ndip=0 1706 read(lfn,1014) nfdip,ndip,rdip 1770 write(lfn,1014) nfdip,ndip,rdip
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwmd/ |
H A D | md_common.fh | 138 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa, 170 + ngrww,ngrsw,ngrss,ndip,numhis,numdis,lnghis,lngdis,nfacfa,
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H A D | md_start.F | 560 ndip=0 1304 ndip=0 1709 read(lfn,1014) nfdip,ndip,rdip 1773 write(lfn,1014) nfdip,ndip,rdip
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