Home
last modified time | relevance | path

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

/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/
H A Drel_LLSS.F99 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)
H A Drel_SSLL.F99 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)
H A Drel_mpole.F68 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,
H A Drel_pvp.F88 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,
H A Drel_SSSSd.F94 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,
H A Drel_LLSSd.F92 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,
H A Drel_SSLLd.F92 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,
H A Drel_SSSS.F107 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,
H A Drel_oneld_cosmo.F86 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,
H A Drel_onel.F90 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,
H A Drel_oneld.F93 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,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/
H A Drel_LLSS.F99 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)
H A Drel_SSLL.F99 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)
H A Drel_mpole.F68 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,
H A Drel_pvp.F88 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,
H A Drel_SSLLd.F92 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,
H A Drel_SSSSd.F94 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,
H A Drel_LLSSd.F92 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,
H A Drel_SSSS.F107 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,
H A Drel_oneld_cosmo.F86 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,
H A Drel_onel.F90 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,
H A Drel_oneld.F93 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,