/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/TAMD/ |
H A D | tamd_input.F | 290 270 if (.not.inp_i(sindx(3))) sindx(3)=501 422 370 if (.not.inp_i(sindx(4))) sindx(4)=501 554 470 if (.not.inp_i(sindx(5))) sindx(5)=501 751 590 if (.not.inp_i(sindx(1))) sindx(1)=501 908 670 if (.not.inp_i(sindx(3))) sindx(3)=501 1056 770 if (.not.inp_i(sindx(3))) sindx(3)=501 1301 1140 if (.not.inp_i(sindx(3))) sindx(3)=501 1437 1340 if (.not.inp_i(sindx(5))) sindx(5)=501 1681 1570 if (.not.inp_i(sindx(5))) sindx(5)=501 1817 1770 if (.not.inp_i(sindx(3))) sindx(3)=501 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/MetaDynamics/ |
H A D | metadynamics_input.F | 247 240 if (.not.inp_i(sindx(3))) sindx(3)=501 353 340 if (.not.inp_i(sindx(4))) sindx(4)=501 461 440 if (.not.inp_i(sindx(5))) sindx(5)=501 624 590 if (.not.inp_i(sindx(1))) sindx(1)=501 757 640 if (.not.inp_i(sindx(2))) sindx(2)=501 879 740 if (.not.inp_i(sindx(3))) sindx(3)=501 1121 1140 if (.not.inp_i(sindx(3))) sindx(3)=501 1257 1340 if (.not.inp_i(sindx(5))) sindx(5)=501 1484 1540 if (.not.inp_i(sindx(5))) sindx(5)=501 1653 1690 if (.not.inp_i(sindx(1))) sindx(1)=501 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/MetaDynamics/ |
H A D | metadynamics_input.F | 247 240 if (.not.inp_i(sindx(3))) sindx(3)=501 353 340 if (.not.inp_i(sindx(4))) sindx(4)=501 461 440 if (.not.inp_i(sindx(5))) sindx(5)=501 624 590 if (.not.inp_i(sindx(1))) sindx(1)=501 757 640 if (.not.inp_i(sindx(2))) sindx(2)=501 879 740 if (.not.inp_i(sindx(3))) sindx(3)=501 1121 1140 if (.not.inp_i(sindx(3))) sindx(3)=501 1257 1340 if (.not.inp_i(sindx(5))) sindx(5)=501 1484 1540 if (.not.inp_i(sindx(5))) sindx(5)=501 1653 1690 if (.not.inp_i(sindx(1))) sindx(1)=501 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/TAMD/ |
H A D | tamd_input.F | 290 270 if (.not.inp_i(sindx(3))) sindx(3)=501 422 370 if (.not.inp_i(sindx(4))) sindx(4)=501 554 470 if (.not.inp_i(sindx(5))) sindx(5)=501 751 590 if (.not.inp_i(sindx(1))) sindx(1)=501 908 670 if (.not.inp_i(sindx(3))) sindx(3)=501 1056 770 if (.not.inp_i(sindx(3))) sindx(3)=501 1301 1140 if (.not.inp_i(sindx(3))) sindx(3)=501 1437 1340 if (.not.inp_i(sindx(5))) sindx(5)=501 1681 1570 if (.not.inp_i(sindx(5))) sindx(5)=501 1817 1770 if (.not.inp_i(sindx(3))) sindx(3)=501 [all …]
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/dports/science/libccp4/libccp4-6.5.1/fortran/ |
H A D | csymlib_f.c | 431 if (*sindx <= 0 || *sindx > MSPAC) { 759 if (*sindx <= 0 || *sindx > MSPAC) { 765 if ( spacegrp[*sindx-1] ) ccp4spg_free(&spacegrp[*sindx-1]); 790 if (*sindx <= 0 || *sindx > MSPAC) { 796 if ( spacegrp[*sindx-1] ) ccp4spg_free(&spacegrp[*sindx-1]); 882 if (*sindx <= 0 || *sindx > MSPAC) { 957 if (*sindx <= 0 || *sindx > MSPAC) { 1274 if (*sindx <= 0 || *sindx > MSPAC) { 1313 if (*sindx <= 0 || *sindx > MSPAC) { 1389 if (*sindx <= 0 || *sindx > MSPAC) { [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/qmmm/ |
H A D | pspw_qmmm_input.F | 90 integer sindx(50),na,nb,nshk 656 sindx(na+1) = k 662 sindx(na+1) = k 746 606 if (inp_i(sindx(1))) then 747 if (inp_i(sindx(2))) then 783 607 if (inp_i(sindx(1))) then 784 if (inp_i(sindx(2))) then 830 608 if (inp_i(sindx(1))) then 1364 sindx(na+1) = k 1370 sindx(na+1) = k [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/qmmm/ |
H A D | pspw_qmmm_input.F | 89 integer sindx(50),na,nb,nshk 653 sindx(na+1) = k 659 sindx(na+1) = k 743 606 if (inp_i(sindx(1))) then 744 if (inp_i(sindx(2))) then 780 607 if (inp_i(sindx(1))) then 781 if (inp_i(sindx(2))) then 827 608 if (inp_i(sindx(1))) then 1312 sindx(na+1) = k 1318 sindx(na+1) = k [all …]
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/dports/science/smoldyn/smoldyn-2.67/source/libSteve/ |
H A D | rxnparam.c | 97 int sindx,bindx,i,j; in numrxnrate() local 122 while(sindx+3>=snum || (sindx>0 && yb[(bindx-1)*snum+sindx+3]<0)) sindx--; in numrxnrate() 398 int sindx,bindx,pindx,sflag; in numrxnrateprob() local 421 if(sindx<0) {sindx=0;sflag=-1; } in numrxnrateprob() 422 else if(sindx>snum-2) sindx=snum-2; in numrxnrateprob() 428 if(sindx<0) {sindx=0;sflag=-1; } in numrxnrateprob() 429 else if(sindx>snum-2) sindx=snum-2; in numrxnrateprob() 444 kll=kirr[pindx*snum+sindx]; in numrxnrateprob() 449 if(sindx==0) { in numrxnrateprob() 485 if(sindx==0) { in numrxnrateprob() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/psi/ |
H A D | BGrsm.F | 580 integer k,shft,nb,nb1,nb2,indx,indx2,sindx 609 sindx=1 611 S(sindx)=0.0d0 612 S(sindx+1)=0.0d0 613 S(sindx+2)=0.0d0 614 sindx=sindx+3 621 sindx=1 631 S(sindx+2)=S(sindx+2)+sz*wght 632 S(sindx+1)=S(sindx+1)+sy*wght 633 S(sindx)=S(sindx)+sx*wght [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/psi/ |
H A D | BGrsm.F | 579 integer k,shft,nb,nb1,nb2,indx,indx2,sindx 608 sindx=1 610 S(sindx)=0.0d0 611 S(sindx+1)=0.0d0 612 S(sindx+2)=0.0d0 613 sindx=sindx+3 620 sindx=1 630 S(sindx+2)=S(sindx+2)+sz*wght 631 S(sindx+1)=S(sindx+1)+sy*wght 632 S(sindx)=S(sindx)+sx*wght [all …]
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/dports/misc/lifelines/lifelines-3.1.1/reports/ |
H A D | names_freq.ll | 152 extractnames(inode(indi), namelist, ncomp, sindx) 156 if (and(ge(ncomp,1),or(eq(sindx,0),gt(sindx,1)))) { 159 if (and(ge(ncomp,2),or(eq(sindx,0),gt(sindx,2)))) { 162 if (and(ge(ncomp,3),or(eq(sindx,0),gt(sindx,3)))) { 165 if (and(ge(ncomp,4),or(eq(sindx,0),gt(sindx,4)))) { 168 if (and(ge(ncomp,5),or(eq(sindx,0),gt(sindx,5)))) { 171 if (sindx) { 172 call count_name(getel(namelist,sindx),surs) 174 if (gt(ncomp,sindx)) { 175 call count_name(getel(namelist,add(sindx,1)),posts1) [all …]
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H A D | namefreq.ll | 110 extractnames(inode(indi), namelist, ncomp, sindx) 111 set(gindx,1) if(eq(sindx,1)) { set(gindx,2) } 113 if( or( gt(sindx,1), gt(ncomp,sindx))) {
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/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_type/ |
H A D | orbitals.F90 | 82 character(sc) :: sindx local 94 write(sindx,'(I0)') ind(ii) 95 if (len(trim(adjustl(shellNamesTmp(ii)))) + len(trim(sindx)) > sc) then 96 call error("Shell labels are too long: "//trim(adjustl(shellNamesTmp(ii)))//trim(sindx)) 98 shellNamesTmp(ii) = trim(adjustl(shellNamesTmp(ii)))//trim(sindx)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/D1dB/ |
H A D | D1dBs-mpi.F | 469 integer pto,pfrom,rsize,ssize,rindx,sindx 516 sindx = 1 521 call D1dBs_isendrecv(pto, ssize*n2ft3d,psi_rep(1,sindx), 562 integer rsize,ssize,rindx,sindx 606 sindx = 1 609 sindx = sindx + na(ps+1) 615 call D1dBs_isendrecv(pto, ssize*n2ft3d,hpsi_rep(1,sindx),
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H A D | D1dB-mpi.F | 656 integer pto,pfrom,rsize,ssize,rindx,sindx 703 sindx = 1 708 call D1dB_isendrecv(pto, ssize*n2ft3d,psi_rep(1,sindx), 749 integer rsize,ssize,rindx,sindx 793 sindx = 1 796 sindx = sindx + na(ps+1) 802 call D1dB_isendrecv(pto, ssize*n2ft3d,hpsi_rep(1,sindx),
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H A D | D1dB-tcgmsg.F | 287 integer pto,pfrom,rsize,ssize,rindx,sindx 332 integer rsize,ssize,rindx,sindx
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/dports/science/dftbplus/dftbplus-19.1/prog/setupgeom/ |
H A D | helpsetupgeom.F90 | 107 character(15) :: sindx local 118 write(sindx,'(I10)') jj 207 character(10) :: sindx local 528 character(10) :: sindx local 540 write(sindx,'(I10)') kk+1 541 write(fd2,'(A)', advance='no') ' '//trim(adjustl(sindx)) 547 write(sindx,'(I10)') kk 548 write(fd2,'(4x,A)') 'AtomRange= 1 '//trim(adjustl(sindx)) 555 write(sindx,'(I10)') kk+1 558 write(sindx,'(I10)') kk [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/C1dB/ |
H A D | C1dB-mpi.F | 656 integer pto,pfrom,rsize,ssize,rindx,sindx 703 sindx = 1 708 call C1dB_isendrecv(pto, ssize*n2ft3d,psi_rep(1,sindx), 749 integer rsize,ssize,rindx,sindx 793 sindx = 1 796 sindx = sindx + na(ps+1) 802 call C1dB_isendrecv(pto, ssize*n2ft3d,hpsi_rep(1,sindx),
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H A D | C1dB-tcgmsg.F | 287 integer pto,pfrom,rsize,ssize,rindx,sindx 332 integer rsize,ssize,rindx,sindx
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/D1dB/ |
H A D | D1dB-mpi.F | 656 integer pto,pfrom,rsize,ssize,rindx,sindx 703 sindx = 1 708 call D1dB_isendrecv(pto, ssize*n2ft3d,psi_rep(1,sindx), 749 integer rsize,ssize,rindx,sindx 793 sindx = 1 796 sindx = sindx + na(ps+1) 802 call D1dB_isendrecv(pto, ssize*n2ft3d,hpsi_rep(1,sindx),
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H A D | D1dB-tcgmsg.F | 287 integer pto,pfrom,rsize,ssize,rindx,sindx 332 integer rsize,ssize,rindx,sindx
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/dports/x11-fm/filerunner/filerunner/ |
H A D | updateinplace.tcl | 86 set sindx 2 90 incr sindx 92 set flist [lindex $glob(fListEl) $sindx]
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/dports/math/R-cran-Matching/Matching/R/ |
H A D | GenBalance.R | 202 sindx <- sample(1:obs, obs, replace = TRUE) functionVar 210 X1tmp <- w[sindx[1:cutp],i ] 211 X2tmp <- w[sindx[(cutp + 1):obs], i] 302 sindx <- sample(1:obs, obs, replace = TRUE) functionVar 310 X1tmp <- w[sindx[1:cutp],i ] 311 X2tmp <- w[sindx[(cutp + 1):obs], i]
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/dports/misc/vxl/vxl-3.3.2/contrib/brl/bseg/boxm2/vecf/ |
H A D | boxm2_vecf_orbit_scene.cxx | 1073 unsigned sindx, in interpolate_vector_field() argument 1085 const vgl_point_3d<double>& scell = cell_centers[sindx]; in interpolate_vector_field() 1147 unsigned sindx, dindx; in apply_eye_vector_field_to_target() local 1150 sindx = data_index_to_cell_index_[dindx]; in apply_eye_vector_field_to_target() 1156 this->interpolate_vector_field(src, sindx, dindx, tindx, in apply_eye_vector_field_to_target() 1202 unsigned sindx=0, dindx=0; in apply_eyelid_vector_field_to_target() local 1206 sindx = eyelid_data_index_to_cell_index_[dindx]; in apply_eyelid_vector_field_to_target() 1244 unsigned sindx=0, dindx=0; in apply_lower_eyelid_vector_field_to_target() local 1248 sindx = lower_eyelid_data_index_to_cell_index_[dindx]; in apply_lower_eyelid_vector_field_to_target() 1286 unsigned sindx=0, dindx=0; in apply_eyelid_crease_vector_field_to_target() local [all …]
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H A D | boxm2_vecf_cranium_scene.cxx | 299 …scene::interpolate_vector_field(vgl_point_3d<double> const& src, unsigned sindx, unsigned dindx, u… in interpolate_vector_field() argument 308 const vgl_point_3d<double>& scell = cell_centers[sindx]; in interpolate_vector_field() 315 const std::vector<unsigned>& nbr_cells = cell_neighbor_cell_index[sindx]; in interpolate_vector_field() 348 unsigned sindx, dindx; in apply_vector_field() local 351 sindx = data_index_to_cell_index_[dindx]; in apply_vector_field()
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