| /dports/science/helfem/HelFEM-21461e9/src/general/ |
| H A D | lcao.cpp | 39 arma::mat gto(r.n_elem, alpha.n_elem); in radial_GTO() local
52 arma::mat gto(r.n_elem, alpha.n_elem); in radial_STO() local
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/afqmc_pyscf/07_diamond_2x2x2_supercell/ |
| H A D | scf_template.py | 1 import pyscf.pbc.gto as gto namespace
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/examples/qmcpack/afqmc_pyscf/08_diamond_2x2x2_kpoint_sym/ |
| H A D | scf_template.py | 1 import pyscf.pbc.gto as gto namespace
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| /dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/07-diamond_2x2x2_supercell/ |
| H A D | scf.py | 4 import pyscf.pbc.gto as gto namespace
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| /dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/08-diamond_2x2x2_kpoint_sym/ |
| H A D | scf.py | 4 import pyscf.pbc.gto as gto namespace
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| /dports/science/tfel-edf/tfel-3.2.1/mfront/include/MFront/BehaviourBrick/ |
| H A D | HookeStressPotentialBase.hxx | 138 bool gto = true; member
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/tests/ |
| H A D | gen_cusp_corr.py | 76 def evalX(gto, Z_val, rc_val): argument
135 def get_original_local_energy(pos, gto, El_sym, alpha_vals, rc_val, Zeff_val): argument
145 def get_current_local_energy(pos, gto, El_sym, alpha_vals, rc_val, dE, Zeff_val): argument
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| H A D | gaussian_orbitals.py | 342 def __init__(self, gto, MO_matrix): argument
374 gto = GTO() variable
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| /dports/science/tfel/tfel-3.4.0/mfront/include/MFront/BehaviourBrick/ |
| H A D | HookeStressPotentialBase.hxx | 181 bool gto = true; member
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| /dports/finance/beanie/beanie-0.8.2/ros/ |
| H A D | vat3.c | 70 int sales, purchs, gfrom, gto; in dovat3() local
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| /dports/science/py-pyscf/pyscf-2.0.1/doc_legacy/source/ |
| H A D | gto.rst | 1 .. _gto: target
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| /dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | molden.cpp | 156 for (int gto = 0; gto < numGTOs; ++gto) { in processLine() local
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| /dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/quantumio/ |
| H A D | molden.cpp | 156 for (int gto = 0; gto < numGTOs; ++gto) { in processLine() local
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| /dports/math/grace/grace-5.1.25/src/ |
| H A D | setutils.c | 345 int copyset(int gfrom, int setfrom, int gto, int setto) in copyset()
407 int copysetdata(int gfrom, int setfrom, int gto, int setto) in copysetdata()
927 void copycol2(int gfrom, int setfrom, int gto, int setto, int col) in copycol2()
1539 int do_moveset(int gfrom, int setfrom, int gto, int setto) in do_moveset()
1557 int do_copyset(int gfrom, int setfrom, int gto, int setto) in do_copyset()
1575 int do_swapset(int gfrom, int setfrom, int gto, int setto) in do_swapset()
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| H A D | featext.c | 182 int gto, feature, abs_graph = -1, abs_set = -1, abs_src; in do_fext_proc() local
201 void fext_routine( int gto, int feature, int abs_src, int abs_set, int abs_graph ) in fext_routine()
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| /dports/www/hs-postgrest/postgrest-8.0.0/_cabal_deps/generics-sop-0.5.1.1/src/Generics/SOP/ |
| H A D | GGP.hs | 225 gto x = GHC.to (gSumTo x id ((\y -> case y of {}) :: SOP I '[] -> (GHC.Rep a) x)) function
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/gto/ |
| H A D | deriv2.c | 61 double *gto = cgto; in GTOshell_eval_grid_cart_deriv2() local
237 double *gto = cgto; in GTOshell_eval_grid_cart_deriv3() local
466 double *gto = cgto; in GTOshell_eval_grid_cart_deriv4() local
745 void GTOshell_eval_grid_cart_deriv1(double *gto, double *ri, double *exps, in GTOshell_eval_grid_cart_deriv1()
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| H A D | deriv1.c | 84 void GTOshell_eval_grid_cart(double *gto, double *ri, double *exps, in GTOshell_eval_grid_cart()
264 void GTOshell_eval_grid_ip_cart(double *gto, double *ri, double *exps, in GTOshell_eval_grid_ip_cart()
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/algo/align/prosplign/ |
| H A D | compartments.cpp | 342 TSeqPos gto = it->second; in FormatAsAsn() local
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| /dports/science/helfem/HelFEM-21461e9/src/diatomic/ |
| H A D | twodquadrature.cpp | 112 void TwoDGridWorker::gto(int l, const arma::vec & expn, probe_t p) { in gto() function in helfem::diatomic::twodquad::TwoDGridWorker
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| /dports/java/openjdk16/jdk16u-jdk-16.0.2-7-1/src/hotspot/share/opto/ |
| H A D | block.cpp | 524 Node* gto = _goto->clone(); // get a new goto node in insert_goto_at() local
581 Node* gto = _goto->clone(); // get a new goto node in convert_NeverBranch_to_Goto() local
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| /dports/java/openjdk8/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/opto/ |
| H A D | block.cpp | 511 Node* gto = _goto->clone(); // get a new goto node in insert_goto_at() local
568 Node* gto = _goto->clone(); // get a new goto node in convert_NeverBranch_to_Goto() local
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| /dports/java/openjdk8-jre/jdk8u-jdk8u312-b07.1/hotspot/src/share/vm/opto/ |
| H A D | block.cpp | 511 Node* gto = _goto->clone(); // get a new goto node in insert_goto_at() local
568 Node* gto = _goto->clone(); // get a new goto node in convert_NeverBranch_to_Goto() local
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| /dports/print/scribus-devel/scribus-1.5.7/scribus/plugins/import/pdf/ |
| H A D | slaoutput.cpp | 456 LinkGoTo *gto = (LinkGoTo*) act; local
513 LinkGoToR *gto = (LinkGoToR*)act; local
551 LinkURI *gto = (LinkURI*)act; local
974 LinkGoTo *gto = (LinkGoTo*)Lact; local
1038 LinkGoToR *gto = (LinkGoToR*)Lact; local
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| /dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/hotspot/share/opto/ |
| H A D | block.cpp | 515 Node* gto = _goto->clone(); // get a new goto node in insert_goto_at() local
572 Node* gto = _goto->clone(); // get a new goto node in convert_NeverBranch_to_Goto() local
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