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Searched refs:numcont (Results 1 – 21 of 21) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/auxil/
H A Dint_spcart2.F91 do ishell = 1,numcont
163 call spcart_fill_cs_ga(numcont,ncart,nsph,
175 call spcart_fill_cs_ga(numcont,ncart,nsph,
236 integer numcont local
270 do ishell = 1,numcont
329 integer numcont local
363 do ishell = 1,numcont
422 integer numcont local
455 do ishell = 1,numcont
515 integer numcont local
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/auxil/
H A Dint_spcart2.F91 do ishell = 1,numcont
163 call spcart_fill_cs_ga(numcont,ncart,nsph,
175 call spcart_fill_cs_ga(numcont,ncart,nsph,
236 integer numcont local
270 do ishell = 1,numcont
329 integer numcont local
363 do ishell = 1,numcont
422 integer numcont local
455 do ishell = 1,numcont
515 integer numcont local
[all …]
/dports/archivers/xmill/xmill/xmillinspect/
H A Dexprinfo.cpp585 int type = XMIINS_SC_UNKNOWN, numcont = 0, i = 0; in buildExprInfo() local
629 numcont -= prevnumcont; in buildExprInfo()
631 numcont += curnum; in buildExprInfo()
634 numcont += ExprInfo::numContainers(type); in buildExprInfo()
668 numcont += retnumcont; in buildExprInfo()
670 info->setNumContainers(numcont); in buildExprInfo()
675 info->setNumContainers(numcont, overlayed); in buildExprInfo()
710 *pretnumcont = numcont; in buildExprInfo()
H A Dxmillinspect.h206 int *charsused = NULL, int *numcont = NULL, bool overlayed = false);
/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/
H A DbasisP.F334 logical function bas_unumcont(basisin,numcont)
344 integer basisin,numcont
348 numcont = -6589
354 numcont = infbs_head(HEAD_NCONT,basis)
H A Dbasis.doc32 logical function bas_numcont(basis,numcont)
198 logical function bas_numcont(basis,numcont)
204 integer numcont ! [output] number of mapped contractions
H A Dbasis.F3105 integer numcont local
3112 bas_bf2cn = bas_numcont(basisin,numcont)
3122 do 00100 icont = 1,numcont
3419 logical function bas_numcont(basisin,numcont)
3434 integer numcont !< [Output] the number of mapped shells local
3438 numcont = -6589
3444 numcont = ncont_tot_gb(basis)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/
H A DbasisP.F334 logical function bas_unumcont(basisin,numcont)
344 integer basisin,numcont
348 numcont = -6589
354 numcont = infbs_head(HEAD_NCONT,basis)
H A Dbasis.doc32 logical function bas_numcont(basis,numcont)
198 logical function bas_numcont(basis,numcont)
204 integer numcont ! [output] number of mapped contractions
H A Dbasis.F3106 integer numcont
3113 bas_bf2cn = bas_numcont(basisin,numcont)
3123 do 00100 icont = 1,numcont
3420 logical function bas_numcont(basisin,numcont)
3435 integer numcont !< [Output] the number of mapped shells
3439 numcont = -6589
3445 numcont = ncont_tot_gb(basis)
/dports/math/bonmin/Bonmin-releases-1.8.8/Bonmin/src/Interfaces/Ipopt/
H A DBonIpoptWarmStart.cpp23 (bool empty, int numvars, int numcont): in IpoptWarmStart() argument
29 setSize(numvars,numcont); in IpoptWarmStart()
H A DBonIpoptWarmStart.hpp52 IpoptWarmStart(bool empty = 1, int numvars = 0, int numcont = 0);
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/
H A Dwaimfile.F27 integer numcont ! number of mapped contractions
445 if (.not.bas_numcont(basis,numcont))
450 if (.not. ma_push_get(mt_int,numcont,'nprim',l_nprim,k_nprim))
453 $ call errquit('waimfile : ma failed tprim', numcont, MA_ERR)
454 if (.not. ma_push_get(mt_int,numcont,'rprim',l_rprim,k_rprim))
455 $ call errquit('waimfile : ma failed rprim', numcont, MA_ERR)
456 if (.not. ma_push_get(mt_int,numcont,'icent',l_icent,k_icent))
461 do icont = 1, numcont
497 do icont = 1, numcont
528 do icont = 1, numcont
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/
H A Dwaimfile.F27 integer numcont ! number of mapped contractions
445 if (.not.bas_numcont(basis,numcont))
450 if (.not. ma_push_get(mt_int,numcont,'nprim',l_nprim,k_nprim))
453 $ call errquit('waimfile : ma failed tprim', numcont, MA_ERR)
454 if (.not. ma_push_get(mt_int,numcont,'rprim',l_rprim,k_rprim))
455 $ call errquit('waimfile : ma failed rprim', numcont, MA_ERR)
456 if (.not. ma_push_get(mt_int,numcont,'icent',l_icent,k_icent))
461 do icont = 1, numcont
497 do icont = 1, numcont
528 do icont = 1, numcont
[all …]
/dports/science/py-veusz/veusz-veusz-3.3.1/veusz/widgets/
H A Dcontour.py366 numcont = (len(levels)-1) * num
367 indices = N.arange(numcont)
372 delta = (maxval-minval) / numcont
375 delta = N.log( maxval/minval ) / numcont
378 delta = N.sqrt( maxval-minval ) / numcont
381 delta = (maxval-minval)**2 / numcont
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/
H A Dnwmolden.F550 integer numcont ! number of mapped contractions
615 status = bas_numcont(basis, numcont)
651 do icont = 1, numcont
696 do icont = 1, numcont
/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/
H A Dnwmolden.F550 integer numcont ! number of mapped contractions
614 status = bas_numcont(basis, numcont)
649 do icont = 1, numcont
694 do icont = 1, numcont
/dports/biology/ncbi-toolkit/ncbi/object/
H A Dobjpubd.h123 typedef struct numcont { struct
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/prog/
H A Dbasis.tex107 logical function bas_numcont(basis,numcont)
109 integer numcont ! [output] total number of contractions
/dports/science/nwchem-data/nwchem-7.0.2-release/doc/prog/
H A Dbasis.tex107 logical function bas_numcont(basis,numcont)
109 integer numcont ! [output] total number of contractions
/dports/math/highs/HiGHS-cfe064e/src/presolve/
H A DPresolve.cpp1496 std::vector<int> numcont(numRow); in detectImpliedIntegers() local
1509 if (integrality[ARindex[j]] == HighsVarType::CONTINUOUS) ++numcont[i]; in detectImpliedIntegers()
1512 if (numcont[i] == 1) equations.push_back(i); in detectImpliedIntegers()
1520 if (numcont[i] != 1) continue; in detectImpliedIntegers()
1560 if (--numcont[Aindex[j]] == 1) { in detectImpliedIntegers()