| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | properties.cpp | 165 arma::mat bond_order(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in bond_order()
178 void mulliken_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in mulliken_analysis()
219 arma::mat mulliken_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in mulliken_charges()
265 void lowdin_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in lowdin_analysis()
313 arma::mat lowdin_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in lowdin_charges()
477 void becke_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double tol)… in becke_analysis()
499 arma::mat becke_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double … in becke_charges()
704 void bader_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double tol)… in bader_analysis()
751 void voronoi_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double to… in voronoi_analysis()
800 void nuclear_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in nuclear_analysis()
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| H A D | eriscreen.cpp | 379 void ERIscreen::calcK(const arma::mat & Pa, const arma::mat & Pb, arma::mat & Ka, arma::mat & Kb, d… in calcK() argument
425 void ERIscreen::calcK(const arma::cx_mat & Pa, const arma::cx_mat & Pb, arma::cx_mat & Ka, arma::cx… in calcK() argument
553 void ERIscreen::calcJK(const arma::mat & Pa, const arma::mat & Pb, arma::mat & J, arma::mat & Ka, a… in calcJK() argument
602 void ERIscreen::calcJK(const arma::cx_mat & Pa, const arma::cx_mat & Pb, arma::mat & J, arma::cx_ma… in calcJK() argument
784 arma::vec ERIscreen::forceK(const arma::mat & Pa, const arma::mat & Pb, double tol, double kfrac) c… in forceK() argument
860 arma::vec ERIscreen::forceJK(const arma::mat & Pa, const arma::mat & Pb, double tol, double kfrac) … in forceJK() argument
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| H A D | diis.h | 28 arma::mat Pa; member
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | properties.cpp | 165 arma::mat bond_order(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in bond_order()
178 void mulliken_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in mulliken_analysis()
219 arma::mat mulliken_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in mulliken_charges()
265 void lowdin_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in lowdin_analysis()
313 arma::mat lowdin_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in lowdin_charges()
477 void becke_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double tol)… in becke_analysis()
499 arma::mat becke_charges(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double … in becke_charges()
704 void bader_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double tol)… in bader_analysis()
751 void voronoi_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb, double to… in voronoi_analysis()
800 void nuclear_analysis(const BasisSet & basis, const arma::mat & Pa, const arma::mat & Pb) { in nuclear_analysis()
[all …]
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| H A D | eriscreen.cpp | 379 void ERIscreen::calcK(const arma::mat & Pa, const arma::mat & Pb, arma::mat & Ka, arma::mat & Kb, d… in calcK() argument
425 void ERIscreen::calcK(const arma::cx_mat & Pa, const arma::cx_mat & Pb, arma::cx_mat & Ka, arma::cx… in calcK() argument
553 void ERIscreen::calcJK(const arma::mat & Pa, const arma::mat & Pb, arma::mat & J, arma::mat & Ka, a… in calcJK() argument
602 void ERIscreen::calcJK(const arma::cx_mat & Pa, const arma::cx_mat & Pb, arma::mat & J, arma::cx_ma… in calcJK() argument
784 arma::vec ERIscreen::forceK(const arma::mat & Pa, const arma::mat & Pb, double tol, double kfrac) c… in forceK() argument
860 arma::vec ERIscreen::forceJK(const arma::mat & Pa, const arma::mat & Pb, double tol, double kfrac) … in forceJK() argument
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| H A D | diis.h | 28 arma::mat Pa; member
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| /dports/devel/google-cloud-cpp117/google-cloud-cpp-1.17.0/google/cloud/storage/internal/ |
| H A D | curl_wrappers.h | 34 #define CURL_AT_LEAST_VERSION(Ma, Mi, Pa) \ argument
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| /dports/devel/google-cloud-cpp/google-cloud-cpp-1.21.0/google/cloud/storage/internal/ |
| H A D | curl_wrappers.h | 34 #define CURL_AT_LEAST_VERSION(Ma, Mi, Pa) \ argument
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| /dports/audio/codec2/codec2-1.0.3/octave/ |
| H A D | ofdm_acquisition.m | 173 Pa = length(find(target_acq == 1))/Ntests; variable
202 … Pa = frame_by_frame_acquisition_test(modes{m}, Ntests, channels{c}, SNR(s), foff_hz=0, verbose=1); variable
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/contrib/ |
| H A D | dumpxc.cpp | 125 arma::mat Pa, Pb; in main() local
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| /dports/math/octave-forge-divand/divand/inst/ |
| H A D | test_2dvar_constrain.m | 53 Pa = inv(iB); variable
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| H A D | test_2dvar_check_correrr.m | 36 Pa = inv(iP); variable
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| H A D | test_2dvar_eof_check.m | 49 Pa = inv(iP - E*E'); variable
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/contrib/ |
| H A D | dumpxc.cpp | 124 arma::mat Pa, Pb; in main() local
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| /dports/science/py-scimath/scimath-4.2.0/scimath/units/ |
| H A D | pressure.py | 33 Pa = pascal variable
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| /dports/science/helfem/HelFEM-21461e9/src/diatomic/ |
| H A D | density_line.cpp | 55 arma::mat Pa, Pb; in main() local
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| H A D | density_grid.cpp | 67 arma::mat P, Pa, Pb; in main() local
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| H A D | completeness.cpp | 113 arma::mat Pa(Plcao*Ca.cols(0,nela-1)); in main() local
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| /dports/math/miracl/miracl-5.6/ |
| H A D | bmc.cpp | 56 G1 P,Ppub,Pa,Pb,R,S,U; in main() local
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| /dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/obj-c++.dg/property/ |
| H A D | at-property-22.mm | 21 @end
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| /dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/src/algo/sequence/ |
| H A D | antigenic.cpp | 84 vector<double> Pa(seq.size()); in x_PredictAGSites() local
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| /dports/math/fxt/fxt/src/ds/ |
| H A D | bounding-box.h | 63 const Pnt Pi = min_point(), Pa = max_point(); in mid_point() local
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| H A D | bounding-box-3d.h | 70 const Pnt Pi = min_point(), Pa = max_point(); in mid_point() local
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| /dports/graphics/mahotas/mahotas-1.4.11/mahotas/features/ |
| H A D | _zernike.cpp | 38 PyArrayObject* Pa; in py_znl() local
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| /dports/science/helfem/HelFEM-21461e9/src/general/ |
| H A D | diis.h | 27 arma::mat Pa; member
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