ddx 0.6.0
Libary for domain-decomposition methods for polarizable continuum models
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Go to the source code of this file.
Data Types | |
interface | ddx_solvers::matvec_interface |
interface | ddx_solvers::matvec_interface_external |
interface | ddx_solvers::norm_interface |
Modules | |
module | ddx_solvers |
Core routines and parameters of ddX software. | |
Functions/Subroutines | |
subroutine | ddx_solvers::jacobi_diis (params, constants, workspace, tol, rhs, x, niter, x_rel_diff, matvec, dm1vec, norm_func, ddx_error) |
Jacobi iterative solver. More... | |
subroutine | ddx_solvers::diis (n, nmat, ndiis, x, e, b, xnew) |
DIIS helper routine. More... | |
subroutine | ddx_solvers::makeb (n, nmat, ndiis, e, b) |
DIIS helper routine. More... | |
subroutine | ddx_solvers::jacobi_diis_external (params, constants, workspace, n, tol, rhs, x, n_iter, x_rel_diff, matvec, dm1vec, norm_func, ddx_error) |
jacobi_diis_solver_external WARNING: code duplication is bad, but here it makes a very specific sense. in ddLPB, we are solving a linear system with Jacobi DIIS also to apply the preconditioner. As calling a solver recursively is a terrible idea, we create a copy of jacobi_diis that: More... | |
ddX software
Iterative solvers for ddX library
Definition in file ddx_solvers.f90.