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Rename dbcsrx/dbcsr_vector.F -> arnoldi/arnoldi_vector.F

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Ole Schütt 2025-01-07 23:21:08 +01:00 • committed by Ole Schütt
parent d85b45b15d
commit 2dcd22f48d
8 changed files with 12 additions and 19 deletions
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5
src/CMakeLists.txt
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@ -905,7 +905,8 @@ list(
arnoldi/arnoldi_data_methods.F
arnoldi/arnoldi_geev.F
arnoldi/arnoldi_methods.F
arnoldi/arnoldi_types.F)
arnoldi/arnoldi_types.F
arnoldi/arnoldi_vector.F)
list(APPEND CP2K_SRCS_F base/base_hooks.F base/kinds.F base/machine.F)
@ -966,8 +967,6 @@ list(
common/util.F
common/whittaker.F)
list(APPEND CP2K_SRCS_F dbcsrx/dbcsr_vector.F)
list(APPEND CP2K_SRCS_F dbm/dbm_api.F dbm/dbm_tests.F)
list(

1
src/PACKAGE
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@ -17,7 +17,6 @@
"minimax",
"eri_mme",
"shg_int",
"dbcsrx",
"arnoldi",
"grid",
"dbm",

2
src/arnoldi/PACKAGE
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@ -1,7 +1,7 @@
{
"description": "Arnoldi iteration eigenvalue algorithm",
"archive": "libdbcsrarnoldi",
"requires": ["../mpiwrap", "../base", "../dbcsrx", "../dbx", "../common"],
"requires": ["../mpiwrap", "../base", "../dbx", "../common"],
"public": [
"arnoldi_api.F",
],

8
src/arnoldi/arnoldi_api.F
View file

@ -33,14 +33,14 @@ MODULE arnoldi_api
arnoldi_env_type,&
get_control,&
m_x_v_vectors_type
USE arnoldi_vector, ONLY: create_col_vec_from_matrix,&
create_replicated_col_vec_from_matrix,&
create_replicated_row_vec_from_matrix,&
dbcsr_matrix_colvec_multiply
USE cp_dbcsr_api, ONLY: &
dbcsr_add, dbcsr_copy, dbcsr_get_block_p, dbcsr_get_info, dbcsr_iterator_blocks_left, &
dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, dbcsr_iterator_type, &
dbcsr_p_type, dbcsr_release, dbcsr_set, dbcsr_type
USE dbcsr_vector, ONLY: create_col_vec_from_matrix,&
create_replicated_col_vec_from_matrix,&
create_replicated_row_vec_from_matrix,&
dbcsr_matrix_colvec_multiply
USE kinds, ONLY: dp
USE message_passing, ONLY: mp_comm_type
#include "../base/base_uses.f90"

2
src/arnoldi/arnoldi_data_methods.F
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@ -18,11 +18,11 @@ MODULE arnoldi_data_methods
USE arnoldi_types, ONLY: &
arnoldi_control_type, arnoldi_data_type, arnoldi_env_type, get_control, get_data, &
get_evals, get_sel_ind, set_control, set_data
USE arnoldi_vector, ONLY: create_col_vec_from_matrix
USE cp_dbcsr_api, ONLY: &
dbcsr_distribution_get, dbcsr_distribution_type, dbcsr_get_data_p, dbcsr_get_info, &
dbcsr_get_matrix_type, dbcsr_mp_grid_setup, dbcsr_p_type, dbcsr_release, dbcsr_type, &
dbcsr_type_real_8, dbcsr_type_symmetric
USE dbcsr_vector, ONLY: create_col_vec_from_matrix
USE kinds, ONLY: dp
USE util, ONLY: sort
#include "../base/base_uses.f90"

2
src/arnoldi/arnoldi_methods.F
View file

@ -23,11 +23,11 @@ MODULE arnoldi_methods
get_control,&
get_data,&
m_x_v_vectors_type
USE arnoldi_vector, ONLY: dbcsr_matrix_colvec_multiply
USE cp_dbcsr_api, ONLY: &
dbcsr_add, dbcsr_copy, dbcsr_get_data_p, dbcsr_get_info, dbcsr_iterator_blocks_left, &
dbcsr_iterator_next_block, dbcsr_iterator_start, dbcsr_iterator_stop, dbcsr_iterator_type, &
dbcsr_p_type, dbcsr_scale, dbcsr_type
USE dbcsr_vector, ONLY: dbcsr_matrix_colvec_multiply
USE kinds, ONLY: dp
USE message_passing, ONLY: mp_comm_type
#include "../base/base_uses.f90"

6
src/dbcsrx/dbcsr_vector.F → src/arnoldi/arnoldi_vector.F
View file

@ -13,7 +13,7 @@
!> 2024.12 Removed support for complex input matrices [Ole Schuett]
!> \author Florian Schiffmann
! **************************************************************************************************
MODULE dbcsr_vector
MODULE arnoldi_vector
USE cp_dbcsr_api, ONLY: &
dbcsr_copy, dbcsr_create, dbcsr_distribution_get, dbcsr_distribution_new, &
dbcsr_distribution_release, dbcsr_distribution_type, dbcsr_get_data_p, dbcsr_get_info, &
@ -32,7 +32,7 @@ MODULE dbcsr_vector
PRIVATE
CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'dbcsr_vector'
CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'arnoldi_vector'
! **************************************************************************************************
!> \brief Types needed for the hashtable.
@ -1055,4 +1055,4 @@ CONTAINS
END SUBROUTINE dbcsr_sym_matrix_vector_mult
END MODULE dbcsr_vector
END MODULE arnoldi_vector

5
src/dbcsrx/PACKAGE
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@ -1,5 +0,0 @@
{
"description": "DBCSR eXtra functionalities",
"archive": "libdbcsrx",
"requires": ["../mpiwrap", "../base", "../dbx"],
}