mscfg_types::molecular_scf_guess_env_type Type Reference

Data Fields
logical	is_fast_dirty
logical	is_crystal
integer	nfrags
real(kind=dp), dimension(:), allocatable	energy_of_frag
integer, dimension(:), allocatable	nmosets_of_frag
type(dbcsr_type), dimension(:, :), allocatable	mos_of_frag

Detailed Description

Definition at line 42 of file mscfg_types.F.

Field Documentation

is_fast_dirty

logical mscfg_types::molecular_scf_guess_env_type::is_fast_dirty

Definition at line 45 of file mscfg_types.F.

is_crystal

logical mscfg_types::molecular_scf_guess_env_type::is_crystal

Definition at line 45 of file mscfg_types.F.

nfrags

integer mscfg_types::molecular_scf_guess_env_type::nfrags

Definition at line 49 of file mscfg_types.F.

energy_of_frag

real(kind=dp), dimension(:), allocatable mscfg_types::molecular_scf_guess_env_type::energy_of_frag

Definition at line 50 of file mscfg_types.F.

nmosets_of_frag

integer, dimension(:), allocatable mscfg_types::molecular_scf_guess_env_type::nmosets_of_frag

Definition at line 51 of file mscfg_types.F.

mos_of_frag

type(dbcsr_type), dimension(:, :), allocatable mscfg_types::molecular_scf_guess_env_type::mos_of_frag

Definition at line 52 of file mscfg_types.F.

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The documentation for this type was generated from the following file:

• mscfg_types.F