| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_tile.F | 339 noa = noa + 1
348 noa = noa + 1
646 noa = noa + 1
659 noa = noa + 1
672 noa = noa + 1
974 noa = noa + 1
986 noa = noa + 1
1298 do i = noa+1,noa+nob
1301 do i = noa+nob+1,noa+nob+nva
1360 do i = noa+1,noa+nob
[all …]
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| H A D | tce_tile_new.F | 260 do i = noa+1,noa+nob
263 do i = noa+nob+1,noa+nob+nva
266 do i = noa+nob+nva+1,noa+nob+nva+nvb
301 do i = noa+1,noa+nob
304 do i = noa+nob+1,noa+nob+nva
307 do i = noa+nob+nva+1,noa+nob+nva+nvb
392 noa = 0
433 noa = noa + 1
442 noa = noa + 1
726 noa = noa + 1
[all …]
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| H A D | tce_mo2e_offset_intorb.F | 35 DO g3b = 1,noa+nva !j
36 DO g4b = g3b,noa+nva !i
37 DO g1b = 1,noa+nva !l
38 DO g2b = g1b,noa+nva !k
103 &(noa+nva) * (g1b - 1 + (noa+nva) * (g4b-
286 if(length.ne.((noa+nva)*(noa+nva+1))/2)
394 if(length.ne.((noa+nva)*(noa+nva+1))/2)
414 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
490 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
533 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
[all …]
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| H A D | tce_mo2e_offset_intorb_hybrid.F | 27 DO g3b = 1,noa+nva !j
28 DO g4b = g3b,noa+nva !i
29 DO g1b = 1,noa+nva !l
30 DO g2b = g1b,noa+nva !k
32 if (.not.(g3b.gt.noa).and.(g4b.gt.noa).and.
33 1 (g1b.gt.noa).and.(g2b.gt.noa)) then
60 DO g3b = 1,noa+nva !j
61 DO g4b = g3b,noa+nva !i
62 DO g1b = 1,noa+nva !l
65 if (.not.(g3b.gt.noa).and.(g4b.gt.noa).and.
[all …]
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| H A D | tce_hash.F | 57 pos1_l=indx_point(i_start,j_start,noa+nva)
58 pos1_u=indx_point(i_stop,j_stop,noa+nva)
61 pos2_u=indx_point(k_stop,l_stop,noa+nva)
92 key_loop= l - 1 + (noa+nva) * (k - 1 + (noa+nva) * (j-
93 & 1 + (noa+nva) * (i - 1)))
104 if((k.eq.noa+nva).and.(l.eq.noa+nva)) go to 200
105 if(l.eq.noa+nva) then
216 IF(.not.((i.gt.noa).and.(j.gt.noa).and.(k.gt.noa).and.
227 key_loop= l - 1 + (noa+nva) * (k - 1 + (noa+nva) * (j-
242 if((k.eq.noa+nva).and.(l.eq.noa+nva)) go to 200
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_tile.F | 339 noa = noa + 1
348 noa = noa + 1
646 noa = noa + 1
659 noa = noa + 1
672 noa = noa + 1
974 noa = noa + 1
986 noa = noa + 1
1298 do i = noa+1,noa+nob
1301 do i = noa+nob+1,noa+nob+nva
1360 do i = noa+1,noa+nob
[all …]
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| H A D | tce_tile_new.F | 260 do i = noa+1,noa+nob
263 do i = noa+nob+1,noa+nob+nva
266 do i = noa+nob+nva+1,noa+nob+nva+nvb
301 do i = noa+1,noa+nob
304 do i = noa+nob+1,noa+nob+nva
307 do i = noa+nob+nva+1,noa+nob+nva+nvb
392 noa = 0
433 noa = noa + 1
442 noa = noa + 1
726 noa = noa + 1
[all …]
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| H A D | n4ind_offset.fh | 8 = g3b - 1 + (noa+nva) * (azone3 - 1 +
11 = g3b + (noa+nva) * (azone3 - 1 +
18 c & (noa+nva) * (g3b - 1 + (noa+nva) * (azone2 - 1)))
20 = g4b - 1 + (noa+nva) * (g3b - 1 +
24 + ((g3b - 1)*(2*(noa+nva)-g3b))/2 +
25 & ((noa+nva)*(noa+nva+1))/2 *
28 = g2b - 1 + (noa+nva) * (g4b - 1 +
29 & (noa+nva) * (g3b - 1 + (noa+nva) * (azone2 - 1)))
32 + (noa+nva)*(g4b - 1 +
33 T ((g3b - 1)*(2*(noa+nva)-g3b))/2 +
[all …]
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| H A D | tce_mo2e_offset_intorb.F | 35 DO g3b = 1,noa+nva !j
36 DO g4b = g3b,noa+nva !i
37 DO g1b = 1,noa+nva !l
38 DO g2b = g1b,noa+nva !k
103 &(noa+nva) * (g1b - 1 + (noa+nva) * (g4b-
286 if(length.ne.((noa+nva)*(noa+nva+1))/2)
394 if(length.ne.((noa+nva)*(noa+nva+1))/2)
414 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
490 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
533 IF(.not.((g3b.gt.noa).and.(g4b.gt.noa).and.(g1b.gt.noa).and.
[all …]
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| H A D | tce_mo2e_offset_intorb_hybrid.F | 27 DO g3b = 1,noa+nva !j
28 DO g4b = g3b,noa+nva !i
29 DO g1b = 1,noa+nva !l
30 DO g2b = g1b,noa+nva !k
32 if (.not.(g3b.gt.noa).and.(g4b.gt.noa).and.
33 1 (g1b.gt.noa).and.(g2b.gt.noa)) then
60 DO g3b = 1,noa+nva !j
61 DO g4b = g3b,noa+nva !i
62 DO g1b = 1,noa+nva !l
65 if (.not.(g3b.gt.noa).and.(g4b.gt.noa).and.
[all …]
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| H A D | tce_hash.F | 57 pos1_l=indx_point(i_start,j_start,noa+nva)
58 pos1_u=indx_point(i_stop,j_stop,noa+nva)
61 pos2_u=indx_point(k_stop,l_stop,noa+nva)
92 key_loop= l - 1 + (noa+nva) * (k - 1 + (noa+nva) * (j-
93 & 1 + (noa+nva) * (i - 1)))
104 if((k.eq.noa+nva).and.(l.eq.noa+nva)) go to 200
105 if(l.eq.noa+nva) then
216 IF(.not.((i.gt.noa).and.(j.gt.noa).and.(k.gt.noa).and.
227 key_loop= l - 1 + (noa+nva) * (k - 1 + (noa+nva) * (j-
242 if((k.eq.noa+nva).and.(l.eq.noa+nva)) go to 200
[all …]
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| /dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/net/wireless/ath/ath10k/ |
| H A D | p2p.c | 12 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_ie_fill() argument
15 u8 ctwindow_oppps = noa->ctwindow_oppps; in ath10k_p2p_noa_ie_fill()
20 u8 noa_descriptors = noa->num_descriptors; in ath10k_p2p_noa_ie_fill()
36 noa_attr->index = noa->index; in ath10k_p2p_noa_ie_fill()
58 if (!noa->num_descriptors && in ath10k_p2p_noa_ie_len_compute()
102 ath10k_p2p_noa_ie_fill(ie, len, noa); in __ath10k_p2p_noa_update()
107 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_update() argument
112 __ath10k_p2p_noa_update(arvif, noa); in ath10k_p2p_noa_update()
118 const struct wmi_p2p_noa_info *noa; member
130 ath10k_p2p_noa_update(arvif, arg->noa); in ath10k_p2p_noa_update_vdev_iter()
[all …]
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| /dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/net/wireless/ath/ath10k/ |
| H A D | p2p.c | 12 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_ie_fill() argument
15 u8 ctwindow_oppps = noa->ctwindow_oppps; in ath10k_p2p_noa_ie_fill()
20 u8 noa_descriptors = noa->num_descriptors; in ath10k_p2p_noa_ie_fill()
36 noa_attr->index = noa->index; in ath10k_p2p_noa_ie_fill()
58 if (!noa->num_descriptors && in ath10k_p2p_noa_ie_len_compute()
102 ath10k_p2p_noa_ie_fill(ie, len, noa); in __ath10k_p2p_noa_update()
107 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_update() argument
112 __ath10k_p2p_noa_update(arvif, noa); in ath10k_p2p_noa_update()
118 const struct wmi_p2p_noa_info *noa; member
130 ath10k_p2p_noa_update(arvif, arg->noa); in ath10k_p2p_noa_update_vdev_iter()
[all …]
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| /dports/multimedia/libv4l/linux-5.13-rc2/drivers/net/wireless/ath/ath10k/ |
| H A D | p2p.c | 12 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_ie_fill() argument
15 u8 ctwindow_oppps = noa->ctwindow_oppps; in ath10k_p2p_noa_ie_fill()
20 u8 noa_descriptors = noa->num_descriptors; in ath10k_p2p_noa_ie_fill()
36 noa_attr->index = noa->index; in ath10k_p2p_noa_ie_fill()
58 if (!noa->num_descriptors && in ath10k_p2p_noa_ie_len_compute()
102 ath10k_p2p_noa_ie_fill(ie, len, noa); in __ath10k_p2p_noa_update()
107 const struct wmi_p2p_noa_info *noa) in ath10k_p2p_noa_update() argument
112 __ath10k_p2p_noa_update(arvif, noa); in ath10k_p2p_noa_update()
118 const struct wmi_p2p_noa_info *noa; member
130 ath10k_p2p_noa_update(arvif, arg->noa); in ath10k_p2p_noa_update_vdev_iter()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mp2_grad/ |
| H A D | mp2_make_tot_dens.F | 2 $ g_p_ab_b,g_rhs,g_p_tot_a,g_p_tot_b,noa,nva,nob,nvb,nbf,
14 integer nbf,nmo,noa,nva,nob,nvb
52 do i = 1+ga_nodeid(),noa,ga_nnodes() ! Loop thru SCF order
55 aa = map_a(a+noa)-noa
58 call ga_put(g_p_tot_a,aa+noa,aa+noa,ii,ii,xx,1)
59 call ga_put(g_p_tot_a,ii,ii,aa+noa,aa+noa,xx,1)
63 call ga_copy_patch('n',g_p_ij_a,1,noa,1,noa,g_p_tot_a,
64 $ 1,noa,1,noa)
66 $ noa+1,nmo,noa+1,nmo)
69 base = (nva*noa)
|
| H A D | mp2_make_cphf_rhs.F | 2 $ noa,nva,nob,nvb,irs_a,irs_b,map_a,map_b,
23 integer nmo,nbf,noa,nva,nob,nvb
34 if(.not.ga_create(mt_dbl,nva,noa,'temp',0,0,g_lai_a_tr))
42 $ g_rhs,g_lai_a_tr,g_lai_b_tr,noa,nva,
52 subroutine cphf_rhs_reshape(scftype,g_rhs,g_lai_a,g_lai_b,noa,
58 integer noa,nva,nob,nvb,nmo
69 do i = 1+ga_nodeid(),noa,ga_nnodes() ! Loop thru SCF order
72 aa = map_a(a+noa)-noa
82 ioff=nva*noa
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/mp2_grad/ |
| H A D | mp2_make_tot_dens.F | 2 $ g_p_ab_b,g_rhs,g_p_tot_a,g_p_tot_b,noa,nva,nob,nvb,nbf,
14 integer nbf,nmo,noa,nva,nob,nvb
52 do i = 1+ga_nodeid(),noa,ga_nnodes() ! Loop thru SCF order
55 aa = map_a(a+noa)-noa
58 call ga_put(g_p_tot_a,aa+noa,aa+noa,ii,ii,xx,1)
59 call ga_put(g_p_tot_a,ii,ii,aa+noa,aa+noa,xx,1)
63 call ga_copy_patch('n',g_p_ij_a,1,noa,1,noa,g_p_tot_a,
64 $ 1,noa,1,noa)
66 $ noa+1,nmo,noa+1,nmo)
69 base = (nva*noa)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/gradients/ |
| H A D | btrans2.F | 510 1 1,noa,1,noa,
511 1 1,noa,1,noa,
513 1 1,noa,noa+1,noab,
514 1 1,noa,noa+1,noab,
536 1 1,noa,1,noa,
560 1 1,noa,1,noa,
584 1 1,noa,1,noa,
609 1 1,noa,1,noa,
633 1 1,noa,1,noa,
793 1 1,noa,1,noa,
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/gradients/ |
| H A D | btrans2.F | 510 1 1,noa,1,noa,
511 1 1,noa,1,noa,
513 1 1,noa,noa+1,noab,
514 1 1,noa,noa+1,noab,
536 1 1,noa,1,noa,
560 1 1,noa,1,noa,
584 1 1,noa,1,noa,
609 1 1,noa,1,noa,
633 1 1,noa,1,noa,
793 1 1,noa,1,noa,
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
| H A D | uccsdtest.F | 289 if (.not. ma_push_get(mt_dbl, noa*noa*noa*noa, 'x1', l_x1, k_x1))
298 nvar = noa*noa*nva*nva + nob*nob*nvb*nvb + noa*nob*nva*nvb +
727 $ + 0.5d0*iaa(i,e+noa,a+noa,b+noa)*t2aa(a,b,i,m)
809 $ + 0.5d0*iaa(e+noa,f+noa,a+noa,b+noa)*
1530 double precision x1(noa, noa, noa, noa)
1544 call dfill(noa*noa*noa*noa, 0.0d0, x1, 1)
1719 double precision x1(noa, noa, noa, noa)
1786 $ + 0.5d0*iaa(i,e+noa,a+noa,b+noa)*t2aa(a,b,i,m)
1881 $ iaa(e+noa,f+noa,a+noa,b+noa)*t2aa(a,b,m,n)
2149 ge(i,j,k,a,b,c,e) = t2aa(c,e,i,j)*iaa(a+noa,b+noa,e+noa,k)
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
| H A D | uccsdtest.F | 289 if (.not. ma_push_get(mt_dbl, noa*noa*noa*noa, 'x1', l_x1, k_x1))
298 nvar = noa*noa*nva*nva + nob*nob*nvb*nvb + noa*nob*nva*nvb +
727 $ + 0.5d0*iaa(i,e+noa,a+noa,b+noa)*t2aa(a,b,i,m)
809 $ + 0.5d0*iaa(e+noa,f+noa,a+noa,b+noa)*
1530 double precision x1(noa, noa, noa, noa)
1544 call dfill(noa*noa*noa*noa, 0.0d0, x1, 1)
1719 double precision x1(noa, noa, noa, noa)
1786 $ + 0.5d0*iaa(i,e+noa,a+noa,b+noa)*t2aa(a,b,i,m)
1881 $ iaa(e+noa,f+noa,a+noa,b+noa)*t2aa(a,b,m,n)
2149 ge(i,j,k,a,b,c,e) = t2aa(c,e,i,j)*iaa(a+noa,b+noa,e+noa,k)
[all …]
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/agf2/ |
| H A D | uagf2.c | 52 int noa, in AGF2uee_vv_vev_islice() argument
65 const int nja = noa * nva; in AGF2uee_vv_vev_islice()
67 const int nxi = nmo * noa; in AGF2uee_vv_vev_islice()
71 double *eja = calloc(noa*nva, sizeof(double)); in AGF2uee_vv_vev_islice()
157 int noa, in AGF2udf_vv_vev_islice() argument
172 const int nxi = nmo * noa; in AGF2udf_vv_vev_islice()
173 const int nja = noa * nva; in AGF2udf_vv_vev_islice()
272 int noa, in AGF2udf_vv_vev_islice_lowmem() argument
314 i = ij / ((noa > nob) ? noa : nob); in AGF2udf_vv_vev_islice_lowmem()
315 j = ij % ((noa > nob) ? noa : nob); in AGF2udf_vv_vev_islice_lowmem()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/mrcc/ |
| H A D | tce_mrcc_tile.F | 591 noa = 0
647 noa = noa + 1
648 active_tiles(noa) = 0
661 noa = noa + 1
662 active_tiles(noa) = 1
663 spin_tmp(noa) = 1
664 sym_tmp(noa) = sym
752 spin_tmp(noa+nob) = 2
941 noab = noa + nob
944 nblcks(1,iref) = noa
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/mrcc/ |
| H A D | tce_mrcc_tile.F | 591 noa = 0
647 noa = noa + 1
648 active_tiles(noa) = 0
661 noa = noa + 1
662 active_tiles(noa) = 1
663 spin_tmp(noa) = 1
664 sym_tmp(noa) = sym
752 spin_tmp(noa+nob) = 2
941 noab = noa + nob
944 nblcks(1,iref) = noa
[all …]
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| /dports/science/plumed/plumed2-2.7.2/src/function/ |
| H A D | Function.cpp | 68 const unsigned noa=getNumberOfArguments(); in apply() local
72 vector<double> f(noa,0.0); in apply()
84 vector<double> omp_f(noa,0.0); in apply()
85 vector<double> forces(noa); in apply()
90 for(unsigned j=0; j<noa; j++) omp_f[j]+=forces[j]; in apply()
94 for(unsigned j=0; j<noa; j++) f[j]+=omp_f[j]; in apply()
97 if(noa>0&&ncp>4*cgs) { comm.Sum(&f[0],noa); comm.Sum(at_least_one_forced); } in apply()
99 if(at_least_one_forced>0) for(unsigned i=0; i<noa; ++i) getPntrToArgument(i)->addForce(f[i]); in apply()
|