| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbam/unittest/ |
| H A D | ElectrostaticsUnitTest.h | 90 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
120 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
149 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
177 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
207 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
243 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
275 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
307 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
341 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
375 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
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| H A D | EnergyForceUnitTest.h | 85 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
108 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
143 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
178 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
202 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
241 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
285 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
312 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
351 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
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| H A D | BDUnitTest.h | 153 make_shared<SHCalc> (SHCalcu), in TEST_F()
197 make_shared<SHCalc> (SHCalcu), in TEST_F()
243 make_shared<SHCalc> (SHCalcu), in TEST_F()
290 make_shared<SHCalc> (SHCalcu), in TEST_F()
343 make_shared<SHCalc> (SHCalcu), in TEST_F()
396 make_shared<SHCalc> (SHCalcu), in TEST_F()
449 make_shared<SHCalc> (SHCalcu), in TEST_F()
509 make_shared<SHCalc> (SHCalcu), in TEST_F()
592 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
631 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
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| H A D | ASolverUnitTest.h | 455 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
473 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
492 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
522 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
568 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
621 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
679 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
731 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
772 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
816 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
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| H A D | ThreeBodyUnitTest.h | 106 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
157 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
207 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
273 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
348 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
418 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in TEST_F()
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| H A D | ASolverTest.h | 53 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in RunASolverTest()
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| H A D | EnergyForceTest.h | 52 shared_ptr<SHCalc> SHCalcu = make_shared<SHCalc>(2*vals, SHConsta); in RunEnForTest()
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pb_shared/unittest/ |
| H A D | SHCalcUnitTest.h | 89 SHCalc SHCalcTest_;
100 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
112 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
126 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
140 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
152 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
165 SHCalc SHCalcTest_(10, _SHConstTest_); in TEST_F()
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| H A D | ReExpCalcUnitTest.h | 301 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
328 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
359 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
389 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
420 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
452 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
482 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
512 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
541 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
572 SHCalc shCalc( 2*nvals, make_shared<SHCalcConstants>(shCon) ); in TEST_F()
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pb_shared/src/ |
| H A D | SHCalc.cpp | 51 SHCalc::SHCalc(const int num_vals, shared_ptr<SHCalcConstants> _consts) in SHCalc() function in SHCalc
68 void SHCalc::calc_legendre(const double theta) in calc_legendre()
105 double SHCalc::get_legendre_result( int n, int m ) in get_legendre_result()
118 void SHCalc::calc_sh(const double theta, const double phi) in calc_sh()
144 cmplx SHCalc::get_result(const int n, const int m) in get_result()
158 void PreCalcSH::calc_and_add(Pt p, shared_ptr<SHCalc> sh) in calc_and_add()
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| H A D | SHCalc.h | 87 class SHCalc
100 SHCalc() {} in SHCalc() function
102 SHCalc(const int num_vals, shared_ptr<SHCalcConstants> _consts);
130 void calc_and_add(Pt p, shared_ptr<SHCalc> sh);
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| H A D | BaseElectro.h | 80 shared_ptr<SHCalc> _shCalc_;
100 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/src/ |
| H A D | Solvmat.h | 205 void calc_vals(shared_ptr<BaseMolecule> mol, shared_ptr<SHCalc> sh_calc,
225 void calc_vals(shared_ptr<BaseMolecule> mol, shared_ptr<SHCalc> sh_calc,
254 IEMatrix(int I, shared_ptr<BaseMolecule> _mol, shared_ptr<SHCalc> sh_calc, int p,
273 shared_ptr<SHCalc> sh_calc,
276 void calc_vals(shared_ptr<BaseMolecule> _mol, shared_ptr<SHCalc> sh_calc);
379 shared_ptr<SHCalc> shcalc, shared_ptr<BesselCalc> bcalc,
402 shared_ptr<SHCalc> shcalc, shared_ptr<BesselCalc> bcalc,
482 shared_ptr<SHCalc> _sh_calc,
496 shared_ptr<SHCalc> shcalc,
530 shared_ptr<SHCalc> shcalc);
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| H A D | Solver.h | 51 shared_ptr<SHCalc> _shCalc_;
74 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
81 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
139 shared_ptr<SHCalc> get_sh() { return _shCalc_;} in get_sh()
177 shared_ptr<SHCalc> _shCalc_;
198 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
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| H A D | TMatrix.h | 45 shared_ptr<SHCalc> _shCalc_;
88 TMatrix(int p, shared_ptr<SystemSAM> _sys, shared_ptr<SHCalc> _shcalc,
105 void update_vals(shared_ptr<SystemSAM> _sys, shared_ptr<SHCalc> _shcalc,
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| H A D | PhysCalcSAM.h | 37 shared_ptr<SHCalc> shcalc_;
58 ForceCalcSAM(int I, vector<int> ki, double es, shared_ptr<SHCalc> shcalc, in ForceCalcSAM()
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| H A D | ElectrostaticsSAM.h | 55 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
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| H A D | Gradsolvmat.h | 342 Ptx calc_df_P(Pt P, int k, shared_ptr<SHCalc> shcalc);
370 shared_ptr<SHCalc> shcalc);
385 shared_ptr<SHCalc> shcalc,
414 shared_ptr<SHCalc> shcalc, shared_ptr<BesselCalc> bcalc,
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbsam/unittest/ |
| H A D | SolverUnitTest.h | 371 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
413 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
447 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
476 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
505 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
535 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
582 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
628 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
708 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
759 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
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| H A D | TMatrixUnitTest.h | 47 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
109 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
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| H A D | BDUnitTest.h | 50 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
114 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
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| H A D | EnergyForceUnitTest.h | 49 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
116 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
208 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
304 auto SHCalcTest = make_shared<SHCalc> (2*pol, _SHConstTest); in TEST_F()
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/pb_s_am/pbam/src/ |
| H A D | ASolver.h | 74 shared_ptr<SHCalc> _shCalc_;
181 shared_ptr<SHCalc> shCalc,
200 shared_ptr<SHCalc> get_sh() { return _shCalc_; } in get_sh()
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| H A D | ElectrostaticsAM.h | 58 shared_ptr<SHCalc> _shCalc, shared_ptr<BesselCalc> _bCalc,
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| H A D | PhysCalcAM.h | 155 shared_ptr<SHCalc> _shCalc_;
169 TorqueCalcAM(shared_ptr<SHCalc> _shCalc,
241 shared_ptr<SHCalc> _shCalc_;
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