/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/auxil/ |
H A D | int_spcart2.F | 91 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/auxil/ |
H A D | int_spcart2.F | 91 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 …]
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/dports/archivers/xmill/xmill/xmillinspect/ |
H A D | exprinfo.cpp | 585 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()
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H A D | xmillinspect.h | 206 int *charsused = NULL, int *numcont = NULL, bool overlayed = false);
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/ |
H A D | basisP.F | 334 logical function bas_unumcont(basisin,numcont) 344 integer basisin,numcont 348 numcont = -6589 354 numcont = infbs_head(HEAD_NCONT,basis)
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H A D | basis.doc | 32 logical function bas_numcont(basis,numcont) 198 logical function bas_numcont(basis,numcont) 204 integer numcont ! [output] number of mapped contractions
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H A D | basis.F | 3105 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/ |
H A D | basisP.F | 334 logical function bas_unumcont(basisin,numcont) 344 integer basisin,numcont 348 numcont = -6589 354 numcont = infbs_head(HEAD_NCONT,basis)
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H A D | basis.doc | 32 logical function bas_numcont(basis,numcont) 198 logical function bas_numcont(basis,numcont) 204 integer numcont ! [output] number of mapped contractions
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H A D | basis.F | 3106 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)
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/dports/math/bonmin/Bonmin-releases-1.8.8/Bonmin/src/Interfaces/Ipopt/ |
H A D | BonIpoptWarmStart.cpp | 23 (bool empty, int numvars, int numcont): in IpoptWarmStart() argument 29 setSize(numvars,numcont); in IpoptWarmStart()
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H A D | BonIpoptWarmStart.hpp | 52 IpoptWarmStart(bool empty = 1, int numvars = 0, int numcont = 0);
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | waimfile.F | 27 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | waimfile.F | 27 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 …]
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/dports/science/py-veusz/veusz-veusz-3.3.1/veusz/widgets/ |
H A D | contour.py | 366 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
H A D | nwmolden.F | 550 integer numcont ! number of mapped contractions 615 status = bas_numcont(basis, numcont) 651 do icont = 1, numcont 696 do icont = 1, numcont
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
H A D | nwmolden.F | 550 integer numcont ! number of mapped contractions 614 status = bas_numcont(basis, numcont) 649 do icont = 1, numcont 694 do icont = 1, numcont
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/dports/biology/ncbi-toolkit/ncbi/object/ |
H A D | objpubd.h | 123 typedef struct numcont { struct
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/doc/prog/ |
H A D | basis.tex | 107 logical function bas_numcont(basis,numcont) 109 integer numcont ! [output] total number of contractions
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/dports/science/nwchem-data/nwchem-7.0.2-release/doc/prog/ |
H A D | basis.tex | 107 logical function bas_numcont(basis,numcont) 109 integer numcont ! [output] total number of contractions
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/dports/math/highs/HiGHS-cfe064e/src/presolve/ |
H A D | Presolve.cpp | 1496 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()
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