ddx 0.6.0
Libary for domain-decomposition methods for polarizable continuum models
ddx_solvers.f90 File Reference

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...
 

Detailed Description

ddX software

Iterative solvers for ddX library

Version
1.0.0
Author
Aleksandr Mikhalev
Date
2020-12-17

Definition in file ddx_solvers.f90.