/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | aoresponse_giao_rhs.F | 111 ahi(1) = nbf 112 ahi(2) = nocc 113 ahi(3) = 3 128 ahi(1) = nmo 130 ahi(3) = 3 141 ahi(2) = nocc 163 ahi(1) = nocc 165 call nga_copy_patch('n',g_smat1,alo,ahi,g_u,alo,ahi) 171 call nga_copy_patch('n',g_smat1,alo,ahi,g_amat(ipm),alo,ahi) 431 ahi(3) = 3 [all …]
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H A D | hnd_sdfc.F | 76 ahi(1) = nbf 99 ahi(1) = nbf 100 ahi(2) = nbf 127 ahi(1) = nbf 129 ahi(2) = nbf 143 ahi(3) = ahi(3)+1 175 ahi(1) = nmo 231 ahi(1) = nmo 255 ahi(1) = nbf 256 ahi(2) = nbf [all …]
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H A D | hnd_psoten.F | 63 ahi(1) = nbf 86 ahi(1) = nbf 87 ahi(2) = nbf 121 ahi(1) = nmo 175 ahi(1) = nmo 199 ahi(1) = nbf 200 ahi(2) = nbf 266 ahi(1) = nbf 267 ahi(2) = nbf 279 ahi(1) = nbf [all …]
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H A D | giao_b1_movecs_tools.F | 52 ahi(1) = nbf 53 ahi(2) = nbf 85 ahi(1) = nmo 188 ahi(2) = nbf 190 ahi(3) = nbf 323 ahi(1) = nbf 324 ahi(2) = nbf 325 ahi(3) = 1 365 & alo(1),ahi(1),alo(2),ahi(2), 388 ahi(3) = 1 [all …]
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H A D | hnd_gshift_zora.F | 1654 write(*,16) alo(1),ahi(1),alo(2),ahi(2), 2175 & alo(1),ahi(1),alo(2),ahi(2), 2344 & alo(1),ahi(1),alo(2),ahi(2), 2480 & alo(1),ahi(1),alo(2),ahi(2), 2813 & alo(1),ahi(1),alo(2),ahi(2), 2882 & alo(1),ahi(1),alo(2),ahi(2), 2969 & alo(1),ahi(1),alo(2),ahi(2), 3321 & alo(1),ahi(1),alo(2),ahi(2), 3390 & alo(1),ahi(1),alo(2),ahi(2), 3436 & alo(1),ahi(1),alo(2),ahi(2), [all …]
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H A D | hnd_giaox.F | 148 ahi(1) = nbf 150 ahi(3) = 3 177 ahi(1) = nbf 179 ahi(3) = 3 193 ahi(3) = 3 220 call nga_copy_patch('n',g_s10,alo,ahi,g_u,alo,ahi) 400 ahi(3) = 3 421 ahi(3) = 3 471 ahi(3) = 3 548 ahi(3) = 3 [all …]
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H A D | get_vecB1.F | 58 ahi(1) = nbf 60 ahi(3) = 1 65 ahi(1) = nmo 69 ahi(3) = 1 181 ahi(1) = nmo 183 ahi(3) = 1 188 ahi(1) = nmo 192 ahi(3) = 1 314 ahi(1) = nbf 315 ahi(2) = nbf [all …]
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H A D | get_vecF1.F | 48 ahi(1) = nbf 49 ahi(2) = nbf 50 ahi(3) = ndir 73 ahi(1) = nbf 75 ahi(3) = 1 80 ahi(1) = nmo 200 ahi(1) = nbf 201 ahi(2) = nbf 202 ahi(3) = ndir 274 ahi(1) = nbf [all …]
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H A D | get_alfaorbeta_reim.F | 237 ahi(1) = nbf 239 ahi(2) = nbf 254 write(*,18) alo(1),ahi(1),alo(2),ahi(2), 279 ahi(2) = nbf 292 write(*,19) alo(1),ahi(1),alo(2),ahi(2), 401 ahi(1) = nbf 418 write(*,18) alo(1),ahi(1),alo(2),ahi(2), 456 write(*,19) alo(1),ahi(1),alo(2),ahi(2), 543 ahi(1) = nbf 545 ahi(3) = idir [all …]
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H A D | aoresponse_beta.F | 311 ahi(1) = nbf 313 ahi(2) = nbf 315 ahi(3) = 3 336 ahi(1) = nmo 340 ahi(3) = 3 360 ahi(1) = nbf 362 ahi(2) = nbf 364 ahi(3) = 3 376 ahi(1) = nmo 380 ahi(3) = 3 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | aoresponse_giao_rhs.F | 111 ahi(1) = nbf 112 ahi(2) = nocc 113 ahi(3) = 3 128 ahi(1) = nmo 130 ahi(3) = 3 141 ahi(2) = nocc 163 ahi(1) = nocc 165 call nga_copy_patch('n',g_smat1,alo,ahi,g_u,alo,ahi) 171 call nga_copy_patch('n',g_smat1,alo,ahi,g_amat(ipm),alo,ahi) 431 ahi(3) = 3 [all …]
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H A D | hnd_sdfc.F | 76 ahi(1) = nbf 99 ahi(1) = nbf 100 ahi(2) = nbf 127 ahi(1) = nbf 129 ahi(2) = nbf 143 ahi(3) = ahi(3)+1 175 ahi(1) = nmo 231 ahi(1) = nmo 255 ahi(1) = nbf 256 ahi(2) = nbf [all …]
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H A D | hnd_psoten.F | 63 ahi(1) = nbf 86 ahi(1) = nbf 87 ahi(2) = nbf 121 ahi(1) = nmo 175 ahi(1) = nmo 199 ahi(1) = nbf 200 ahi(2) = nbf 266 ahi(1) = nbf 267 ahi(2) = nbf 279 ahi(1) = nbf [all …]
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H A D | giao_b1_movecs_tools.F | 52 ahi(1) = nbf 53 ahi(2) = nbf 85 ahi(1) = nmo 188 ahi(2) = nbf 190 ahi(3) = nbf 323 ahi(1) = nbf 324 ahi(2) = nbf 325 ahi(3) = 1 365 & alo(1),ahi(1),alo(2),ahi(2), 388 ahi(3) = 1 [all …]
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H A D | hnd_gshift_zora.F | 1654 write(*,16) alo(1),ahi(1),alo(2),ahi(2), 2175 & alo(1),ahi(1),alo(2),ahi(2), 2344 & alo(1),ahi(1),alo(2),ahi(2), 2480 & alo(1),ahi(1),alo(2),ahi(2), 2813 & alo(1),ahi(1),alo(2),ahi(2), 2882 & alo(1),ahi(1),alo(2),ahi(2), 2969 & alo(1),ahi(1),alo(2),ahi(2), 3321 & alo(1),ahi(1),alo(2),ahi(2), 3390 & alo(1),ahi(1),alo(2),ahi(2), 3436 & alo(1),ahi(1),alo(2),ahi(2), [all …]
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H A D | hnd_giaox.F | 148 ahi(1) = nbf 150 ahi(3) = 3 177 ahi(1) = nbf 179 ahi(3) = 3 193 ahi(3) = 3 220 call nga_copy_patch('n',g_s10,alo,ahi,g_u,alo,ahi) 400 ahi(3) = 3 421 ahi(3) = 3 471 ahi(3) = 3 548 ahi(3) = 3 [all …]
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H A D | get_vecB1.F | 58 ahi(1) = nbf 60 ahi(3) = 1 65 ahi(1) = nmo 69 ahi(3) = 1 181 ahi(1) = nmo 183 ahi(3) = 1 188 ahi(1) = nmo 192 ahi(3) = 1 314 ahi(1) = nbf 315 ahi(2) = nbf [all …]
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H A D | get_vecF1.F | 48 ahi(1) = nbf 49 ahi(2) = nbf 50 ahi(3) = ndir 73 ahi(1) = nbf 75 ahi(3) = 1 80 ahi(1) = nmo 200 ahi(1) = nbf 201 ahi(2) = nbf 202 ahi(3) = ndir 274 ahi(1) = nbf [all …]
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H A D | get_alfaorbeta_reim.F | 237 ahi(1) = nbf 239 ahi(2) = nbf 254 write(*,18) alo(1),ahi(1),alo(2),ahi(2), 279 ahi(2) = nbf 292 write(*,19) alo(1),ahi(1),alo(2),ahi(2), 401 ahi(1) = nbf 418 write(*,18) alo(1),ahi(1),alo(2),ahi(2), 456 write(*,19) alo(1),ahi(1),alo(2),ahi(2), 543 ahi(1) = nbf 545 ahi(3) = idir [all …]
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H A D | aoresponse_beta.F | 311 ahi(1) = nbf 313 ahi(2) = nbf 315 ahi(3) = 3 336 ahi(1) = nmo 340 ahi(3) = 3 360 ahi(1) = nbf 362 ahi(2) = nbf 364 ahi(3) = 3 376 ahi(1) = nmo 380 ahi(3) = 3 [all …]
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/dports/devel/radare2/radare2-5.1.1/test/db/cmd/ |
H A D | cmd_ahi | 6 ahi s 23 ahi s 56 ahi 10 73 ahi s 90 ahi 2 107 ahi 2 163 ahi 8 177 ahi 2 191 ahi 2 205 ahi 2 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_compute_energy.F | 144 ahi(1) = nroot*ipol 145 ahi(2) = nao 146 ahi(3) = nao 152 call nga_add_patch(0.5d0,g_x,alo,ahi,0.5d0,g_y,alo,ahi,g_x, 154 call nga_add_patch(1.0d0,g_x,alo,ahi,-1.0d0,g_y,alo,ahi,g_y, 190 call nga_add_patch(1.0d0,g_apbx,alo,ahi, 1.0d0,g_apby,alo,ahi, 192 call nga_add_patch(1.0d0,g_ambx,alo,ahi,-1.0d0,g_amby,alo,ahi, 230 ahi(1) = ir 234 ahi(3) = nav(ip) 257 ahi(1) = ir [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_compute_energy.F | 144 ahi(1) = nroot*ipol 145 ahi(2) = nao 146 ahi(3) = nao 152 call nga_add_patch(0.5d0,g_x,alo,ahi,0.5d0,g_y,alo,ahi,g_x, 154 call nga_add_patch(1.0d0,g_x,alo,ahi,-1.0d0,g_y,alo,ahi,g_y, 190 call nga_add_patch(1.0d0,g_apbx,alo,ahi, 1.0d0,g_apby,alo,ahi, 192 call nga_add_patch(1.0d0,g_ambx,alo,ahi,-1.0d0,g_amby,alo,ahi, 230 ahi(1) = ir 234 ahi(3) = nav(ip) 257 ahi(1) = ir [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
H A D | uhf_fock_finish.F | 135 ahi(1) = noffset*4 137 ahi(2) = nbf 139 ahi(3) = nbf 148 ahi(1) = noffset 175 ahi(1) = noffset 188 ahi(1) = nfock 190 & g_fock2,alo,ahi) 195 ahi(1) = nfock 203 ahi(1) = noffset*4 224 ahi(1)=i [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
H A D | uhf_fock_finish.F | 135 ahi(1) = noffset*4 137 ahi(2) = nbf 139 ahi(3) = nbf 148 ahi(1) = noffset 175 ahi(1) = noffset 188 ahi(1) = nfock 190 & g_fock2,alo,ahi) 195 ahi(1) = nfock 203 ahi(1) = noffset*4 224 ahi(1)=i [all …]
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