rpa_communication Module Reference

Auxiliary routines necessary to redistribute an fm_matrix from a given blacs_env to another. More...

Functions/Subroutines
subroutine, public	gamma_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)
	Redistribute RPA-AXK Gamma_3 density matrices: from fm to dbcsr.
subroutine, public	communicate_buffer (para_env, num_entries_rec, num_entries_send, buffer_rec, buffer_send, req_array, do_indx, do_msg)
	...

Detailed Description

Auxiliary routines necessary to redistribute an fm_matrix from a given blacs_env to another.

History

12.2012 created [Mauro Del Ben]

Function/Subroutine Documentation

gamma_fm_to_dbcsr()

subroutine, public rpa_communication::gamma_fm_to_dbcsr	(	type(cp_fm_type), intent(inout)	fm_mat_gamma_3,
		type(dbcsr_type), dimension(:), allocatable	dbcsr_gamma_3,
		type(mp_para_env_type), intent(in)	para_env_rpa,
		type(mp_para_env_type), intent(in), pointer	para_env_sub,
		integer, intent(in)	homo,
		integer, intent(in)	virtual,
		type(dbcsr_type), intent(inout)	mo_coeff_o,
		integer, intent(in)	ngroup,
		integer, intent(in)	my_group_l_start,
		integer, intent(in)	my_group_l_end,
		integer, intent(in)	my_group_l_size
	)

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

Parameters

fm_mat_Gamma_3	... ia*dime_RI sized density matrix (fm type on para_env_RPA)
dbcsr_Gamma_3	... redistributed Gamma_3 (dbcsr array): dimen_RI of i*a: i*a on subgroup, L distributed in RPA_group
para_env_RPA	...
para_env_sub	...
homo	...
virtual	...
mo_coeff_o	... dbcsr on a subgroup
ngroup	...
my_group_L_start	...
my_group_L_end	...
my_group_L_size	...

Author

Vladimir Rybkin, 07/2016

Definition at line 75 of file rpa_communication.F.

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communicate_buffer()

subroutine, public rpa_communication::communicate_buffer	(	type(mp_para_env_type), intent(in)	para_env,
		integer, dimension(:), intent(in), allocatable	num_entries_rec,
		integer, dimension(:), intent(in), allocatable	num_entries_send,
		type(integ_mat_buffer_type), dimension(:), intent(inout), allocatable	buffer_rec,
		type(integ_mat_buffer_type), dimension(:), intent(inout), allocatable	buffer_send,
		type(mp_request_type), dimension(:, :), pointer	req_array,
		logical, intent(in), optional	do_indx,
		logical, intent(in), optional	do_msg
	)

...

Parameters

para_env	...
num_entries_rec	...
num_entries_send	...
buffer_rec	...
buffer_send	...
req_array	...
do_indx	...
do_msg	...

Definition at line 432 of file rpa_communication.F.

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