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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/TAMD/
H A Dtamd_input.F290 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/MetaDynamics/
H A Dmetadynamics_input.F247 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/MetaDynamics/
H A Dmetadynamics_input.F247 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/TAMD/
H A Dtamd_input.F290 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 …]
/dports/science/libccp4/libccp4-6.5.1/fortran/
H A Dcsymlib_f.c431 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/qmmm/
H A Dpspw_qmmm_input.F90 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/qmmm/
H A Dpspw_qmmm_input.F89 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 …]
/dports/science/smoldyn/smoldyn-2.67/source/libSteve/
H A Drxnparam.c97 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/psi/
H A DBGrsm.F580 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/psi/
H A DBGrsm.F579 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 …]
/dports/misc/lifelines/lifelines-3.1.1/reports/
H A Dnames_freq.ll152 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 …]
H A Dnamefreq.ll110 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))) {
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_type/
H A Dorbitals.F9082 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/D1dB/
H A DD1dBs-mpi.F469 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),
H A DD1dB-mpi.F656 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),
H A DD1dB-tcgmsg.F287 integer pto,pfrom,rsize,ssize,rindx,sindx
332 integer rsize,ssize,rindx,sindx
/dports/science/dftbplus/dftbplus-19.1/prog/setupgeom/
H A Dhelpsetupgeom.F90107 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/C1dB/
H A DC1dB-mpi.F656 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),
H A DC1dB-tcgmsg.F287 integer pto,pfrom,rsize,ssize,rindx,sindx
332 integer rsize,ssize,rindx,sindx
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/D1dB/
H A DD1dB-mpi.F656 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),
H A DD1dB-tcgmsg.F287 integer pto,pfrom,rsize,ssize,rindx,sindx
332 integer rsize,ssize,rindx,sindx
/dports/x11-fm/filerunner/filerunner/
H A Dupdateinplace.tcl86 set sindx 2
90 incr sindx
92 set flist [lindex $glob(fListEl) $sindx]
/dports/math/R-cran-Matching/Matching/R/
H A DGenBalance.R202 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]
/dports/misc/vxl/vxl-3.3.2/contrib/brl/bseg/boxm2/vecf/
H A Dboxm2_vecf_orbit_scene.cxx1073 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 …]
H A Dboxm2_vecf_cranium_scene.cxx299 …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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