/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/ |
H A D | rel_LLSS.F | 99 integer n_intpp ! number of integrals for l_C+1,l_D+1 168 n_intpp = n_cartp_c*n_cartp_d*n_cont_cd*n_ab 175 i_pm = i_pp+n_intpp 186 write (LuOut,*) 'n_intpp',n_intpp 225 & scr(i_pp),n_intpp,canAB,canCD,canPQ, 230 call ecp_matpr(scr(i_pp),1,n_intpp,1,1, 231 & 1,n_intpp,1,1,'++ ints','E',120,6)
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H A D | rel_SSLL.F | 99 integer n_intpp ! number of integrals for l_A+1,l_B+1 168 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 175 i_pm = i_pp+n_intpp 186 write (LuOut,*) 'n_intpp',n_intpp 223 & scr(i_pp),n_intpp,canAB,canCD,canPQ, 228 call ecp_matpr(scr(i_pp),1,n_intpp,1,1, 229 & 1,n_intpp,1,1,'++ ints','E',120,6)
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H A D | rel_mpole.F | 68 integer n_intpp ! number of integrals for l_A+1,l_B+1 128 n_intpp = n_cartp_a*n_cartp_b*n_cart_c 135 i_pm = i_pp+n_intpp 145 write (LuOut,*) 'n_intpp',n_intpp 176 & scr(i_pp),n_intpp,TriDiag,
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H A D | rel_pvp.F | 88 integer n_intpp ! number of integrals for l_A+1,l_B+1 164 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 171 i_pm = i_pp+n_intpp 181 write (LuOut,*) 'n_intpp',n_intpp 220 & Cxyz,zan,exinv,nat,scr,scr,scr(i_pp),n_intpp,doS,doT,doV,
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H A D | rel_SSSSd.F | 94 integer n_intpp ! number of integrals for l_A+1,l_B+1 163 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 170 i_pm = i_pp+n_intpp*12 181 write (LuOut,*) 'n_intpp',n_intpp 218 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_LLSSd.F | 92 integer n_intpp ! number of integrals for l_C+1,l_D+1 162 n_intpp = n_cartp_c*n_cartp_d*n_cont_cd*n_ab 169 i_pm = i_pp+n_intpp*12 180 write (LuOut,*) 'n_intpp',n_intpp 219 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_SSLLd.F | 92 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 161 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 168 i_pm = i_pp+n_intpp*12 179 write (LuOut,*) 'n_intpp',n_intpp 218 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_SSSS.F | 107 integer n_intpp ! number of integrals for l_A+1,l_B+1 176 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 183 i_pm = i_pp+n_intpp 194 write (LuOut,*) 'n_intpp',n_intpp 232 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_oneld_cosmo.F | 86 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 348 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 363 i_pm = i_pp+n_intpp*3*3 374 write (LuOut,*) 'n_intpp',n_intpp 415 & Cxyz,zan,scr(i_pp),n_intpp,
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H A D | rel_onel.F | 90 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 296 n_intpp = n_allp_a*n_allp_b 303 i_pm = i_pp+n_intpp 313 write (LuOut,*) 'n_intpp',n_intpp 354 & Cxyz,zan,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV, 360 & Cxyz,zan,exinv,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV,
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H A D | rel_oneld.F | 93 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 352 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 363 i_pm = i_pp+n_intpp*3*nat 374 write (LuOut,*) 'n_intpp',n_intpp 415 & Cxyz,zan,exinv,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV, 421 & Cxyz,zan,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
H A D | rel_LLSS.F | 99 integer n_intpp ! number of integrals for l_C+1,l_D+1 local 168 n_intpp = n_cartp_c*n_cartp_d*n_cont_cd*n_ab 175 i_pm = i_pp+n_intpp 186 write (LuOut,*) 'n_intpp',n_intpp 225 & scr(i_pp),n_intpp,canAB,canCD,canPQ, 230 call ecp_matpr(scr(i_pp),1,n_intpp,1,1, 231 & 1,n_intpp,1,1,'++ ints','E',120,6)
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H A D | rel_SSLL.F | 99 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 168 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 175 i_pm = i_pp+n_intpp 186 write (LuOut,*) 'n_intpp',n_intpp 223 & scr(i_pp),n_intpp,canAB,canCD,canPQ, 228 call ecp_matpr(scr(i_pp),1,n_intpp,1,1, 229 & 1,n_intpp,1,1,'++ ints','E',120,6)
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H A D | rel_mpole.F | 68 integer n_intpp ! number of integrals for l_A+1,l_B+1 128 n_intpp = n_cartp_a*n_cartp_b*n_cart_c 135 i_pm = i_pp+n_intpp 145 write (LuOut,*) 'n_intpp',n_intpp 176 & scr(i_pp),n_intpp,TriDiag,
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H A D | rel_pvp.F | 88 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 164 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 171 i_pm = i_pp+n_intpp 181 write (LuOut,*) 'n_intpp',n_intpp 220 & Cxyz,zan,exinv,nat,scr,scr,scr(i_pp),n_intpp,doS,doT,doV,
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H A D | rel_SSLLd.F | 92 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 161 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 168 i_pm = i_pp+n_intpp*12 179 write (LuOut,*) 'n_intpp',n_intpp 218 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_SSSSd.F | 94 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 163 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 170 i_pm = i_pp+n_intpp*12 181 write (LuOut,*) 'n_intpp',n_intpp 218 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_LLSSd.F | 92 integer n_intpp ! number of integrals for l_C+1,l_D+1 local 162 n_intpp = n_cartp_c*n_cartp_d*n_cont_cd*n_ab 169 i_pm = i_pp+n_intpp*12 180 write (LuOut,*) 'n_intpp',n_intpp 219 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_SSSS.F | 107 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 176 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab*n_cd 183 i_pm = i_pp+n_intpp 194 write (LuOut,*) 'n_intpp',n_intpp 232 & scr(i_pp),n_intpp,canAB,canCD,canPQ,
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H A D | rel_oneld_cosmo.F | 86 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 348 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 363 i_pm = i_pp+n_intpp*3*3 374 write (LuOut,*) 'n_intpp',n_intpp 415 & Cxyz,zan,scr(i_pp),n_intpp,
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H A D | rel_onel.F | 90 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 296 n_intpp = n_allp_a*n_allp_b 303 i_pm = i_pp+n_intpp 313 write (LuOut,*) 'n_intpp',n_intpp 354 & Cxyz,zan,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV, 360 & Cxyz,zan,exinv,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV,
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H A D | rel_oneld.F | 93 integer n_intpp ! number of integrals for l_A+1,l_B+1 local 352 n_intpp = n_cartp_a*n_cartp_b*n_cont_ab 363 i_pm = i_pp+n_intpp*3*nat 374 write (LuOut,*) 'n_intpp',n_intpp 415 & Cxyz,zan,exinv,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV, 421 & Cxyz,zan,nat,S,T,scr(i_pp),n_intpp,doS,doT,doV,
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