Documentation for module admm_dm_types

Types and set/get functions for auxiliary denisty matrix methods

source: admm_dm_types.F
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public Types:

admm_dm_type
...
mcweeny_history_type
...

public Subroutines/Functions:

Create a new admm_dm type
Release a admm_dm type

public Types:

TYPE :: admm_dm_type

...


LOGICAL
:: purify = .FALSE. ...
INTEGER
:: method = -1 ...
TYPE(dbcsr_type),
POINTER :: matrix_a => NULL() ...
REAL(dp)
:: eps_filter = 1E-20_DP ...
INTEGER
:: mcweeny_max_steps = 100 ...
INTEGER,
DIMENSION(:,:), POINTER :: block_map => NULL() ...
DIMENSION(:), POINTER :: mcweeny_history => NULL() ...

TYPE :: mcweeny_history_type

...


:: m ...
INTEGER
:: count = -1 ...
POINTER :: next => NULL() ...

SUBROUTINEadmm_dm_create(admm_dm, admm_control, nspins, natoms)

Create a new admm_dm type

Arguments:
POINTER
:: admm_dm ...
POINTER
:: admm_control ...
INTEGER,
INTENT(in)
:: nspins ...
INTEGER,
INTENT(in)
:: natoms ...

SUBROUTINEadmm_dm_release(admm_dm)

Release a admm_dm type

Arguments:
POINTER
:: admm_dm ...

private Parameters/Types:

private Types:

TYPE :: mcweeny_history_p_type

...


POINTER :: p => NULL() ...