Documentation for module rpa_communication

Auxiliary rountines necessary to redistribute an fm_matrix from a given blacs_env to another

source: rpa_communication.F
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public Subroutines/Functions:

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Redistribute RPA-AXK Gamma_3 density matrices: from fm to dbcsr
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SUBROUTINEfm_redistribute(fm_mat_source, fm_mat_dest, rpa_proc_map, buffer_rec, buffer_send, number_of_send, map_send_size, map_rec_size, local_size_source, para_env_rpa)

...

Arguments:
TYPE(cp_fm_type),
POINTER
:: fm_mat_source ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_dest ...
INTEGER,
ALLOCATABLE
:: rpa_proc_map(:) ...
ALLOCATABLE
:: buffer_rec(:) ...
ALLOCATABLE
:: buffer_send(:) ...
INTEGER
:: number_of_send ...
INTEGER,
ALLOCATABLE
:: map_send_size(:) ...
INTEGER,
ALLOCATABLE
:: map_rec_size(:) ...
INTEGER,
ALLOCATABLE
:: local_size_source(:,:) ...
POINTER
:: para_env_rpa ...

SUBROUTINEgamma_fm_to_dbcsr(fm_mat_gamma_3, dbcsr_gamma_3, para_env_rpa, para_env_sub, homo, virtual, mo_coeff_o, ngroup, my_group_l_start, my_group_l_end, my_group_l_size, dimen_ri)

Redistribute RPA-AXK Gamma_3 density matrices: from fm to dbcsr

Arguments:
TYPE(cp_fm_type),
POINTER
:: fm_mat_gamma_3 ...
POINTER
:: dbcsr_gamma_3(:) ...
POINTER
:: para_env_rpa ...
POINTER
:: para_env_sub ...
INTEGER
:: homo ...
INTEGER
:: virtual ...
TYPE(dbcsr_type),
POINTER
:: mo_coeff_o ...
INTEGER
:: ngroup ...
INTEGER
:: my_group_l_start ...
INTEGER
:: my_group_l_end ...
INTEGER
:: my_group_l_size ...
INTEGER
:: dimen_ri ...

SUBROUTINEinitialize_buffer(fm_mat_source, fm_mat_dest, rpa_proc_map, buffer_rec, buffer_send, number_of_rec, number_of_send, map_send_size, map_rec_size, local_size_source, para_env_rpa)

...

Arguments:
TYPE(cp_fm_type),
POINTER
:: fm_mat_source ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_dest ...
INTEGER,
ALLOCATABLE
:: rpa_proc_map(:) ...
ALLOCATABLE
:: buffer_rec(:) ...
ALLOCATABLE
:: buffer_send(:) ...
INTEGER
:: number_of_rec ...
INTEGER
:: number_of_send ...
INTEGER,
ALLOCATABLE
:: map_send_size(:) ...
INTEGER,
ALLOCATABLE
:: map_rec_size(:) ...
INTEGER,
ALLOCATABLE
:: local_size_source(:,:) ...
POINTER
:: para_env_rpa ...

SUBROUTINErelease_buffer(rpa_proc_map, buffer_rec, buffer_send, number_of_rec, number_of_send, map_send_size, map_rec_size, local_size_source)

...

Arguments:
INTEGER,
ALLOCATABLE
:: rpa_proc_map(:) ...
ALLOCATABLE
:: buffer_rec(:) ...
ALLOCATABLE
:: buffer_send(:) ...
INTEGER
:: number_of_rec ...
INTEGER
:: number_of_send ...
INTEGER,
ALLOCATABLE
:: map_send_size(:) ...
INTEGER,
ALLOCATABLE
:: map_rec_size(:) ...
INTEGER,
ALLOCATABLE
:: local_size_source(:,:) ...