Psi4
ci_tol.h
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28 
34 #pragma once
35 
36 namespace psi {
37 namespace detci {
38 constexpr auto S_MAX = 0.999995; /* Max overlap for mitrush vects and collapsed vecs */
39 constexpr auto HD_MIN = 1.0E-4; /* Minimum diagonal element of preconditioner */
40 constexpr auto ZERO = 1e-10;
41 constexpr auto MPn_ZERO = 1e-14;
42 constexpr auto SA_NORM_TOL = 1.0E-5; /* norm of schmidt orthogonalized vector */
43 constexpr auto MPn_NORM_TOL = 1.0E-12;
44 } // namespace detci
45 } // namespace psi
constexpr auto MPn_NORM_TOL
Definition: ci_tol.h:43
constexpr auto HD_MIN
Definition: ci_tol.h:39
SharedWavefunction detci(SharedWavefunction, Options &)
Definition: detci.cc:65
constexpr auto MPn_ZERO
Definition: ci_tol.h:41
constexpr auto SA_NORM_TOL
Definition: ci_tol.h:42
constexpr auto ZERO
Definition: ci_tol.h:40
constexpr auto S_MAX
Definition: ci_tol.h:38