| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/ |
| H A D | tce_mrcc_gacp.F | 18 integer l_buff,k_buff local
46 1 k_buff)) call errquit('tce_mrcc_gacp: MA problem',1,
50 dbl_mb(k_buff+j-1)=0.0d0
58 call ga_get(g_a,istart,iend,1,1,dbl_mb(k_buff),1)
59 call ga_put(g_b,istart,iend,1,1,dbl_mb(k_buff),1)
95 integer l_buff,k_buff,l_buff2,k_buff2 local
122 1 k_buff)) call errquit('tce_mrcc_gacp: MA problem',1,
130 dbl_mb(k_buff+j-1)=0.0d0
141 call ga_get(g_a(k,iref),istart,iend,1,1,dbl_mb(k_buff),1)
145 1 coefficients(k) * dbl_mb(k_buff+j-1)
|
| H A D | tce_mrcc_heff.F | 1091 integer l_buff,k_buff local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/ |
| H A D | tce_mrcc_gacp.F | 18 integer l_buff,k_buff local
46 1 k_buff)) call errquit('tce_mrcc_gacp: MA problem',1,
50 dbl_mb(k_buff+j-1)=0.0d0
58 call ga_get(g_a,istart,iend,1,1,dbl_mb(k_buff),1)
59 call ga_put(g_b,istart,iend,1,1,dbl_mb(k_buff),1)
95 integer l_buff,k_buff,l_buff2,k_buff2 local
122 1 k_buff)) call errquit('tce_mrcc_gacp: MA problem',1,
130 dbl_mb(k_buff+j-1)=0.0d0
141 call ga_get(g_a(k,iref),istart,iend,1,1,dbl_mb(k_buff),1)
145 1 coefficients(k) * dbl_mb(k_buff+j-1)
|
| H A D | tce_mrcc_heff.F | 1091 integer l_buff,k_buff
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
| H A D | rak24.F | 21 integer geom, basis, nbf, nshells, max1e, mscr, h_buff, k_buff
65 & h_buff,k_buff)) call errquit
87 call dfill(max1e,0.0d00,dbl_mb(k_buff),1)
92 & max1e,dbl_mb(k_buff))
|
| H A D | rak18.F | 37 integer h_buff, k_buff ! ma handle/index for integral buffer
92 & h_buff,k_buff)) call errquit
116 & max1e,dbl_mb(k_buff))
117 call ga_put(g_S,ilo,ihi,jlo,jhi,dbl_mb(k_buff),nbfi)
|
| H A D | rjhtrans.F | 726 integer i1_occ, i2_occ, i3_occ, i4_occ, ind, l_buff, k_buff
792 if (.not. ma_push_get(mt_dbl,reclen,'buffer',l_buff, k_buff))
807 ierr = eaf_read(fd, offset, dbl_mb(k_buff), 8*reclen)
818 dbl_mb(k_buff+ind) = dbl_mb(k_buff+ind) *
831 $ dbl_mb(k_buff), 1)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
| H A D | rak24.F | 21 integer geom, basis, nbf, nshells, max1e, mscr, h_buff, k_buff
65 & h_buff,k_buff)) call errquit
87 call dfill(max1e,0.0d00,dbl_mb(k_buff),1)
92 & max1e,dbl_mb(k_buff))
|
| H A D | rak18.F | 37 integer h_buff, k_buff ! ma handle/index for integral buffer
92 & h_buff,k_buff)) call errquit
116 & max1e,dbl_mb(k_buff))
117 call ga_put(g_S,ilo,ihi,jlo,jhi,dbl_mb(k_buff),nbfi)
|
| H A D | rjhtrans.F | 726 integer i1_occ, i2_occ, i3_occ, i4_occ, ind, l_buff, k_buff
792 if (.not. ma_push_get(mt_dbl,reclen,'buffer',l_buff, k_buff))
807 ierr = eaf_read(fd, offset, dbl_mb(k_buff), 8*reclen)
818 dbl_mb(k_buff+ind) = dbl_mb(k_buff+ind) *
831 $ dbl_mb(k_buff), 1)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mp2_grad/ |
| H A D | mp2_back_transform.F | 1086 integer k_buff,l_buff
1097 M 'mp2 copyb',l_buff,k_buff))
1102 C dbl_mb(k_buff),ilo,ihi,jlo,jhi)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/mp2_grad/ |
| H A D | mp2_back_transform.F | 1084 integer k_buff,l_buff
1095 M 'mp2 copyb',l_buff,k_buff))
1100 C dbl_mb(k_buff),ilo,ihi,jlo,jhi)
|