| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | eri_digest.h | 21 class dERIWorker; variable
96 …virtual void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & der…
110 …void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & deriw, arma…
129 …void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & deriw, arma…
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| H A D | eriworker.h | 121 class dERIWorker: public IntegralWorker {
146 dERIWorker(int maxam, int maxcontr);
147 virtual ~dERIWorker();
183 class dERIWorker_srlr: public dERIWorker {
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| H A D | eriworker.cpp | 87 dERIWorker::dERIWorker(int maxam, int maxcontr) { in dERIWorker() function in dERIWorker
100 dERIWorker::~dERIWorker() { in ~dERIWorker()
198 void dERIWorker::compute_cartesian() { in compute_cartesian()
273 void dERIWorker::get_idx(int idx) { in get_idx()
344 std::vector<double> dERIWorker::get(int idx) { in get()
381 const std::vector<double> * dERIWorker::getp(int idx) { in getp()
387 std::vector<double> dERIWorker::get_debug(int idx) { in get_debug()
1056 void dERIWorker::compute_libderiv_data(const eri_precursor_t & ip, const eri_precursor_t & jp, int … in compute_libderiv_data()
1274 void dERIWorker::compute(const GaussianShell *is_origv, const GaussianShell *js_origv, const Gaussi… in compute()
1430 …RIWorker_srlr(int maxam, int maxcontr, double w, double a, double b) : dERIWorker(maxam,maxcontr) { in dERIWorker_srlr()
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| H A D | density_fitting.cpp | 828 dERIWorker *deri; in forceJ()
830 deri=new dERIWorker(maxam,maxcontr); in forceJ()
915 dERIWorker *deri; in forceJ()
917 deri=new dERIWorker(maxam,maxcontr); in forceJ()
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| H A D | eri_digest.cpp | 425 void JFDigestor::digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & … in digest()
484 void KFDigestor::digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & … in digest()
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| H A D | eriscreen.cpp | 176 …dERIWorker *deri = (omega==0.0 && alpha==1.0 && beta==0.0) ? new dERIWorker(basp->get_max_am(),bas… in calculate_force()
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | eri_digest.h | 21 class dERIWorker; variable
96 …virtual void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & der…
110 …void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & deriw, arma…
129 …void digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & deriw, arma…
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| H A D | eriworker.h | 121 class dERIWorker: public IntegralWorker {
146 dERIWorker(int maxam, int maxcontr);
147 virtual ~dERIWorker();
183 class dERIWorker_srlr: public dERIWorker {
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| H A D | eriworker.cpp | 87 dERIWorker::dERIWorker(int maxam, int maxcontr) { in dERIWorker() function in dERIWorker
100 dERIWorker::~dERIWorker() { in ~dERIWorker()
198 void dERIWorker::compute_cartesian() { in compute_cartesian()
273 void dERIWorker::get_idx(int idx) { in get_idx()
344 std::vector<double> dERIWorker::get(int idx) { in get()
381 const std::vector<double> * dERIWorker::getp(int idx) { in getp()
387 std::vector<double> dERIWorker::get_debug(int idx) { in get_debug()
1056 void dERIWorker::compute_libderiv_data(const eri_precursor_t & ip, const eri_precursor_t & jp, int … in compute_libderiv_data()
1274 void dERIWorker::compute(const GaussianShell *is_origv, const GaussianShell *js_origv, const Gaussi… in compute()
1430 …RIWorker_srlr(int maxam, int maxcontr, double w, double a, double b) : dERIWorker(maxam,maxcontr) { in dERIWorker_srlr()
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| H A D | density_fitting.cpp | 828 dERIWorker *deri; in forceJ()
830 deri=new dERIWorker(maxam,maxcontr); in forceJ()
915 dERIWorker *deri; in forceJ()
917 deri=new dERIWorker(maxam,maxcontr); in forceJ()
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| H A D | eri_digest.cpp | 425 void JFDigestor::digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & … in digest()
484 void KFDigestor::digest(const std::vector<eripair_t> & shpairs, size_t ip, size_t jp, dERIWorker & … in digest()
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| H A D | eriscreen.cpp | 176 …dERIWorker *deri = (omega==0.0 && alpha==1.0 && beta==0.0) ? new dERIWorker(basp->get_max_am(),bas… in calculate_force()
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