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/dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/
H A Ddia_report.F15 integer i,j,num,numi,numj
30 read(lfn,1000) numj
68 real*8 tim(numj)
82 do 2 i=1,numj
85 nskip=numi+numj+3
92 do 6 j=1,numj
107 do 7 j=1,numj
112 do 8 j=1,numj
119 do 10 j=1,numj
128 do 12 j=1,numj
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/
H A Dana_report.F15 integer i,j,num,numi,numj
30 read(lfn,1000) numj
68 real*8 tim(numj)
82 do 2 i=1,numj
85 nskip=numi+numj+3
92 do 6 j=1,numj
107 do 7 j=1,numj
112 do 8 j=1,numj
119 do 10 j=1,numj
128 do 12 j=1,numj
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/
H A Dana_report.F15 integer i,j,num,numi,numj local
30 read(lfn,1000) numj
68 real*8 tim(numj)
82 do 2 i=1,numj
85 nskip=numi+numj+3
92 do 6 j=1,numj
107 do 7 j=1,numj
112 do 8 j=1,numj
119 do 10 j=1,numj
128 do 12 j=1,numj
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/
H A Ddia_report.F15 integer i,j,num,numi,numj
30 read(lfn,1000) numj
68 real*8 tim(numj)
82 do 2 i=1,numj
85 nskip=numi+numj+3
92 do 6 j=1,numj
107 do 7 j=1,numj
112 do 8 j=1,numj
119 do 10 j=1,numj
128 do 12 j=1,numj
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_diana_report_loc.F9 integer lfn,numi,numj
10 integer ndxi(numi,3),ndxj(numj,4)
12 real*8 tim(numj)
26 do 2 i=1,numj
29 nskip=numi+numj+3
36 do 6 j=1,numj
51 do 7 j=1,numj
56 do 8 j=1,numj
63 do 10 j=1,numj
72 do 12 j=1,numj
[all …]
H A Dargos_diana_report_file.F15 integer i,j,num,numi,numj
30 read(lfn,1000) numj
35 if(.not.ma_push_get(mt_int,4*numj,'ji',l_ji,i_ji))
37 if(.not.ma_push_get(mt_byte,12*numj,'jc',l_jc,i_jc))
39 if(.not.ma_push_get(mt_dbl,numj,'jr',l_jr,i_jr))
41 call argos_diana_report_loc(lfn,numi,numj,int_mb(i_ii),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_diana_report_loc.F9 integer lfn,numi,numj
10 integer ndxi(numi,3),ndxj(numj,4)
12 real*8 tim(numj)
26 do 2 i=1,numj
29 nskip=numi+numj+3
36 do 6 j=1,numj
51 do 7 j=1,numj
56 do 8 j=1,numj
63 do 10 j=1,numj
72 do 12 j=1,numj
[all …]
H A Dargos_diana_report_file.F15 integer i,j,num,numi,numj
30 read(lfn,1000) numj
35 if(.not.ma_push_get(mt_int,4*numj,'ji',l_ji,i_ji))
37 if(.not.ma_push_get(mt_byte,12*numj,'jc',l_jc,i_jc))
39 if(.not.ma_push_get(mt_dbl,numj,'jr',l_jr,i_jr))
41 call argos_diana_report_loc(lfn,numi,numj,int_mb(i_ii),
/dports/science/madness/madness-ebb3fd7/src/madness/tensor/mtxmq_graveyard/
H A Dmtxmq_avx_rjh.cc178 switch (numj) { in mTxmq_core()
281 switch(numj){ in mTxmq_core()
377 switch(numj){ in mTxmq_core()
2370 c += numj; in mTxmq()
2371 b += numj; in mTxmq()
2382 c += numj; in mTxmq()
2383 b += numj; in mTxmq()
2420 c += numj; in mTxmq()
2421 b += numj; in mTxmq()
2432 c += numj; in mTxmq()
[all …]
H A Dmtxmq.cc181 switch (numj) { in mTxmq_core()
284 switch(numj){ in mTxmq_core()
380 switch(numj){ in mTxmq_core()
2373 c += numj; in mTxmq()
2374 b += numj; in mTxmq()
2385 c += numj; in mTxmq()
2386 b += numj; in mTxmq()
2423 c += numj; in mTxmq()
2424 b += numj; in mTxmq()
2435 c += numj; in mTxmq()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/
H A Ddft_dencvg.F17 integer ilo,jlo,ihi,jhi,numi,numj
35 numj = jhi-jlo+1
36 if (numi.gt.0 .and. numj.gt.0) then
37 if (.not. MA_Push_Get(MT_Dbl,numi*numj,'dmat',ldm, idm))
39 if (.not. MA_Push_Get(MT_Dbl, numi*numj,'dmato',ldmo,idmo))
45 do j=0,numi*numj-1
H A Ddiis_bld12.F33 integer ilo,ihi,jlo,jhi,numi,numj,l_s,k_s,icount
49 numj = jhi-jlo+1
50 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'matS', l_s, k_s))
52 if (numi.gt.0 .and. numj.gt.0) then
H A Ddft_canorg.F23 integer ilo,ihi,jlo,jhi,numi,numj,icount
38 numj = jhi-jlo+1
39 if (numi.gt.0 .and. numj.gt.0) then
40 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'tmpm',
437 integer ilo,ihi,jlo,jhi,numi,numj,icount
450 numj = jhi-jlo+1
451 if (numi.gt.0 .and. numj.gt.0) then
452 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'tmpm',
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/
H A Ddft_dencvg.F17 integer ilo,jlo,ihi,jhi,numi,numj
35 numj = jhi-jlo+1
36 if (numi.gt.0 .and. numj.gt.0) then
37 if (.not. MA_Push_Get(MT_Dbl,numi*numj,'dmat',ldm, idm))
39 if (.not. MA_Push_Get(MT_Dbl, numi*numj,'dmato',ldmo,idmo))
45 do j=0,numi*numj-1
H A Ddiis_bld12.F33 integer ilo,ihi,jlo,jhi,numi,numj,l_s,k_s,icount
49 numj = jhi-jlo+1
50 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'matS', l_s, k_s))
52 if (numi.gt.0 .and. numj.gt.0) then
H A Ddft_canorg.F23 integer ilo,ihi,jlo,jhi,numi,numj,icount
38 numj = jhi-jlo+1
39 if (numi.gt.0 .and. numj.gt.0) then
40 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'tmpm',
437 integer ilo,ihi,jlo,jhi,numi,numj,icount
450 numj = jhi-jlo+1
451 if (numi.gt.0 .and. numj.gt.0) then
452 if (.not. MA_Push_Get(MT_Dbl, numi*numj, 'tmpm',
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Dga_mat_to_vec.F32 integer ioff, j, numi, numj, k, ld
54 numj = min(jhi,jphi) - max(jlo,jplo) + 1
55 if (numi.gt.0 .and. numj.gt.0) then
96 integer ioff, j, numi, numj, k, ld
108 numj = min(jhi,jphi) - max(jlo,jplo) + 1
109 if (numi.gt.0 .and. numj.gt.0) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/
H A Dga_mat_to_vec.F32 integer ioff, j, numi, numj, k, ld
54 numj = min(jhi,jphi) - max(jlo,jplo) + 1
55 if (numi.gt.0 .and. numj.gt.0) then
96 integer ioff, j, numi, numj, k, ld
108 numj = min(jhi,jphi) - max(jlo,jplo) + 1
109 if (numi.gt.0 .and. numj.gt.0) then
/dports/science/afni/afni-AFNI_21.3.16/src/
H A Drtest1.c56 int nopt , mdev , jsize , ii,jj , numj,jset[100] ; in main() local
79 for( numj=0 ; numj < 100 && nopt < argc ; ){ in main()
84 jset[numj++] = ii ; in main()
123 if( numj > 0 ){ in main()
125 for( jj=0 ; jj < numj ; jj++ ) in main()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/
H A Dpot_shell.F145 numj = jbfhi - jbflo + 1
174 numj = ((jtype+1)*(jtype+2))/2
176 $ work, numi, numj)
179 do j = 1, numj
194 do j = 1, numj
212 R rj, numj,
525 $ work, numi, numj)
532 double precision denc(numi,numj)
575 do jcart = 1, numj
616 integer jtype, jnprim, jngen, numj
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/
H A Dpot_shell.F145 numj = jbfhi - jbflo + 1
174 numj = ((jtype+1)*(jtype+2))/2
176 $ work, numi, numj)
179 do j = 1, numj
194 do j = 1, numj
212 R rj, numj,
525 $ work, numi, numj)
532 double precision denc(numi,numj)
575 do jcart = 1, numj
616 integer jtype, jnprim, jngen, numj
[all …]
/dports/science/tinker/tinker/source/
H A Dradial.f37 integer numj,numk
302 numj = 0
305 if (name(i).eq.namej .or. type(i).eq.typej) numj = numj + 1
311 if (numj.ne.0 .and. numk.ne.0) then
314 pairs = dble(numj) * dble(numk)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/
H A Dtddft_grad_compute_w.F107 integer numj ! the number of j-labels
257 numj = maxj-minj+1
265 ld(2) = numj
269 do j = 1, numj
300 call dfill(nroots*numi*numj,0.0d0,dbl_mb(iptr_r),1)
302 do j = 0, numj-1
308 + * dbl_mb(iptr_b+ir+nroots*j+nroots*numj*a)
355 numj = maxj-minj+1
363 ld(2) = numj
367 do i = 1, numj
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/
H A Dtddft_grad_compute_w.F107 integer numj ! the number of j-labels
261 numj = maxj-minj+1
269 ld(2) = numj
273 do j = 1, numj
304 call dfill(nroots*numi*numj,0.0d0,dbl_mb(iptr_r),1)
306 do j = 0, numj-1
312 + * dbl_mb(iptr_b+ir+nroots*j+nroots*numj*a)
359 numj = maxj-minj+1
367 ld(2) = numj
371 do i = 1, numj
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/
H A Dlal_ellipsoid_nbor.cu46 int numj=dev_ij[nbor]; in kernel_nbor() local
48 int nbor_end=nbor+fast_mul(numj,nbor_pitch); in kernel_nbor()
115 int numj=dev_ij[nbor]; in kernel_nbor_fast() local
117 int nbor_end=nbor+fast_mul(numj,nbor_pitch); in kernel_nbor_fast()

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