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Searched refs:n_intmm (Results 1 – 22 of 22) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/
H A Drel_LLSS.F102 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)
H A Drel_SSLL.F102 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)
H A Drel_mpole.F71 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,
H A Drel_pvp.F91 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,
H A Drel_SSSSd.F97 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,
H A Drel_LLSSd.F95 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,
H A Drel_SSLLd.F95 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,
H A Drel_SSSS.F110 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,
H A Drel_oneld_cosmo.F89 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,
H A Drel_onel.F93 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,
H A Drel_oneld.F96 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,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/
H A Drel_LLSS.F102 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)
H A Drel_SSLL.F102 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)
H A Drel_mpole.F71 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,
H A Drel_pvp.F91 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,
H A Drel_SSLLd.F95 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,
H A Drel_SSSSd.F97 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,
H A Drel_LLSSd.F95 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,
H A Drel_SSSS.F110 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,
H A Drel_oneld_cosmo.F89 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,
H A Drel_onel.F93 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,
H A Drel_oneld.F96 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,