/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/ |
H A D | rel_LLSS.F | 102 integer n_intmm ! number of integrals for l_C-1,l_D-1 171 n_intmm = n_cartm_c*n_cartm_d*n_cont_cd*n_ab 178 i_scr = i_mm+n_intmm 189 write (LuOut,*) 'n_intmm',n_intmm 283 & scr(i_mm),n_intmm,canAB,canCD,canPQ, 288 call ecp_matpr(scr(i_mm),1,n_intmm,1,1, 289 & 1,n_intmm,1,1,'-- ints','E',120,6)
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H A D | rel_SSLL.F | 102 integer n_intmm ! number of integrals for l_A-1,l_B-1 171 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 178 i_scr = i_mm+n_intmm 189 write (LuOut,*) 'n_intmm',n_intmm 278 & scr(i_mm),n_intmm,canAB,canCD,canPQ, 283 call ecp_matpr(scr(i_mm),1,n_intmm,1,1, 284 & 1,n_intmm,1,1,'-- ints','E',120,6)
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H A D | rel_mpole.F | 71 integer n_intmm ! number of integrals for l_A-1,l_B-1 131 n_intmm = n_cartm_a*n_cartm_b*n_cart_c 138 i_scr = i_mm+n_intmm 148 write (LuOut,*) 'n_intmm',n_intmm 219 & scr(i_mm),n_intmm,TriDiag,
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H A D | rel_pvp.F | 91 integer n_intmm ! number of integrals for l_A-1,l_B-1 167 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 174 i_scr = i_mm+n_intmm 184 write (LuOut,*) 'n_intmm',n_intmm 260 & Cxyz,zan,exinv,nat,scr,scr,scr(i_mm),n_intmm,doS,doT,doV,
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H A D | rel_SSSSd.F | 97 integer n_intmm ! number of integrals for l_A-1,l_B-1 166 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 173 i_scr = i_mm+n_intmm*12 184 write (LuOut,*) 'n_intmm',n_intmm 258 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_LLSSd.F | 95 integer n_intmm ! number of integrals for l_C-1,l_D-1 165 n_intmm = n_cartm_c*n_cartm_d*n_cont_cd*n_ab 172 i_scr = i_mm+n_intmm*12 183 write (LuOut,*) 'n_intmm',n_intmm 262 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_SSLLd.F | 95 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 164 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 171 i_scr = i_mm+n_intmm*12 182 write (LuOut,*) 'n_intmm',n_intmm 261 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_SSSS.F | 110 integer n_intmm ! number of integrals for l_A-1,l_B-1 179 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 186 i_scr = i_mm+n_intmm 197 write (LuOut,*) 'n_intmm',n_intmm 275 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_oneld_cosmo.F | 89 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 351 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 366 i_scr = max(i_xca+n_ab3at*ntyp,i_mm+n_intmm*3*3) 377 write (LuOut,*) 'n_intmm',n_intmm 521 & Cxyz,zan,scr(i_mm),n_intmm,
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H A D | rel_onel.F | 93 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 299 n_intmm = n_allm_a*n_allm_b 306 i_scr = max(i_xca+n_ab*ntyp,i_mm+n_intmm) 316 write (LuOut,*) 'n_intmm',n_intmm 433 & Cxyz,zan,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV, 439 & Cxyz,zan,exinv,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV,
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H A D | rel_oneld.F | 96 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 355 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 366 i_scr = max(i_xca+n_ab3at*ntyp,i_mm+n_intmm*3*nat) 377 write (LuOut,*) 'n_intmm',n_intmm 518 & Cxyz,zan,exinv,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV, 524 & Cxyz,zan,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
H A D | rel_LLSS.F | 102 integer n_intmm ! number of integrals for l_C-1,l_D-1 local 171 n_intmm = n_cartm_c*n_cartm_d*n_cont_cd*n_ab 178 i_scr = i_mm+n_intmm 189 write (LuOut,*) 'n_intmm',n_intmm 283 & scr(i_mm),n_intmm,canAB,canCD,canPQ, 288 call ecp_matpr(scr(i_mm),1,n_intmm,1,1, 289 & 1,n_intmm,1,1,'-- ints','E',120,6)
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H A D | rel_SSLL.F | 102 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 171 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 178 i_scr = i_mm+n_intmm 189 write (LuOut,*) 'n_intmm',n_intmm 278 & scr(i_mm),n_intmm,canAB,canCD,canPQ, 283 call ecp_matpr(scr(i_mm),1,n_intmm,1,1, 284 & 1,n_intmm,1,1,'-- ints','E',120,6)
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H A D | rel_mpole.F | 71 integer n_intmm ! number of integrals for l_A-1,l_B-1 131 n_intmm = n_cartm_a*n_cartm_b*n_cart_c 138 i_scr = i_mm+n_intmm 148 write (LuOut,*) 'n_intmm',n_intmm 219 & scr(i_mm),n_intmm,TriDiag,
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H A D | rel_pvp.F | 91 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 167 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 174 i_scr = i_mm+n_intmm 184 write (LuOut,*) 'n_intmm',n_intmm 260 & Cxyz,zan,exinv,nat,scr,scr,scr(i_mm),n_intmm,doS,doT,doV,
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H A D | rel_SSLLd.F | 95 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 164 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 171 i_scr = i_mm+n_intmm*12 182 write (LuOut,*) 'n_intmm',n_intmm 261 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_SSSSd.F | 97 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 166 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 173 i_scr = i_mm+n_intmm*12 184 write (LuOut,*) 'n_intmm',n_intmm 258 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_LLSSd.F | 95 integer n_intmm ! number of integrals for l_C-1,l_D-1 local 165 n_intmm = n_cartm_c*n_cartm_d*n_cont_cd*n_ab 172 i_scr = i_mm+n_intmm*12 183 write (LuOut,*) 'n_intmm',n_intmm 262 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_SSSS.F | 110 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 179 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab*n_cd 186 i_scr = i_mm+n_intmm 197 write (LuOut,*) 'n_intmm',n_intmm 275 & scr(i_mm),n_intmm,canAB,canCD,canPQ,
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H A D | rel_oneld_cosmo.F | 89 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 351 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 366 i_scr = max(i_xca+n_ab3at*ntyp,i_mm+n_intmm*3*3) 377 write (LuOut,*) 'n_intmm',n_intmm 521 & Cxyz,zan,scr(i_mm),n_intmm,
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H A D | rel_onel.F | 93 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 299 n_intmm = n_allm_a*n_allm_b 306 i_scr = max(i_xca+n_ab*ntyp,i_mm+n_intmm) 316 write (LuOut,*) 'n_intmm',n_intmm 433 & Cxyz,zan,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV, 439 & Cxyz,zan,exinv,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV,
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H A D | rel_oneld.F | 96 integer n_intmm ! number of integrals for l_A-1,l_B-1 local 355 n_intmm = n_cartm_a*n_cartm_b*n_cont_ab 366 i_scr = max(i_xca+n_ab3at*ntyp,i_mm+n_intmm*3*nat) 377 write (LuOut,*) 'n_intmm',n_intmm 518 & Cxyz,zan,exinv,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV, 524 & Cxyz,zan,nat,S,T,scr(i_mm),n_intmm,doS,doT,doV,
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