Searched refs:PRIM_SCREEN_THRESH (Results 1 – 19 of 19) sorted by relevance
33 const double integral_thresh = PRIM_SCREEN_THRESH; in NAIBatch()
44 const double integral_thresh = PRIM_SCREEN_THRESH; in RnBatch()
43 const double integral_thresh = PRIM_SCREEN_THRESH; in RnBatch()
35 const double integral_thresh = (max_density != 0.0) ? (PRIM_SCREEN_THRESH / max_density) : 0.0; in ERIBatch()
46 const double integral_thresh = (max_density != 0.0) ? (PRIM_SCREEN_THRESH / max_density) : 0.0; in GradBatch()
40 … const double integral_thresh = (max_density != 0.0) ? (PRIM_SCREEN_THRESH / max_density) : 0.0; in BreitBatch_base()
38 const double integral_thresh = PRIM_SCREEN_THRESH; in GNAIBatch()
40 const double integral_thresh = PRIM_SCREEN_THRESH;
59 const double integral_thresh = std::max(1.0e-30, PRIM_SCREEN_THRESH * 1.0e-10);// / max_density; in SlaterBatch()
49 …const bool print = false, const int max_iter = 100, const double thresh_int = PRIM_SCREEN_THRESH) :
60 … const bool print = false, const int max_iter = 100, const double thresh_int = PRIM_SCREEN_THRESH);
63 … const bool print = false, const int max_iter = 100, const double thresh_int = PRIM_SCREEN_THRESH);
47 integral_thresh_ = PRIM_SCREEN_THRESH; in ECPBatch()
47 integral_thresh_ = PRIM_SCREEN_THRESH; in SOECPBatch()
41 static constexpr double PRIM_SCREEN_THRESH = 1.0e-12; variable
48 const double integral_thresh = PRIM_SCREEN_THRESH;
37 const double integral_thresh = (max_density != 0.0) ? (PRIM_SCREEN_THRESH / max_density) : 0.0; in ComplexERIBatch()
42 const double integral_thresh = PRIM_SCREEN_THRESH; in MultipoleBatch()