/dports/science/nwchem-data/nwchem-7.0.2-release/src/diana/ |
H A D | dia_report.F | 15 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/analyz/ |
H A D | ana_report.F | 15 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/analyz/ |
H A D | ana_report.F | 15 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/diana/ |
H A D | dia_report.F | 15 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_diana_report_loc.F | 9 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 …]
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H A D | argos_diana_report_file.F | 15 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),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_diana_report_loc.F | 9 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 …]
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H A D | argos_diana_report_file.F | 15 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),
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/dports/science/madness/madness-ebb3fd7/src/madness/tensor/mtxmq_graveyard/ |
H A D | mtxmq_avx_rjh.cc | 178 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 …]
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H A D | mtxmq.cc | 181 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
H A D | dft_dencvg.F | 17 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
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H A D | diis_bld12.F | 33 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
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H A D | dft_canorg.F | 23 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',
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
H A D | dft_dencvg.F | 17 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
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H A D | diis_bld12.F | 33 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
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H A D | dft_canorg.F | 23 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',
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
H A D | ga_mat_to_vec.F | 32 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
H A D | ga_mat_to_vec.F | 32 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
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/dports/science/afni/afni-AFNI_21.3.16/src/ |
H A D | rtest1.c | 56 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()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/ |
H A D | pot_shell.F | 145 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/ |
H A D | pot_shell.F | 145 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 …]
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/dports/science/tinker/tinker/source/ |
H A D | radial.f | 37 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_compute_w.F | 107 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_compute_w.F | 107 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 …]
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/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_ellipsoid_nbor.cu | 46 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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