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Searched refs:matrix_struct (Results 1 – 25 of 247) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/fm/
H A D	cp_cfm_types.F	140 CPASSERT(ASSOCIATED(matrix_struct)) 142 context => matrix_struct%context 143 matrix%matrix_struct => matrix_struct 251 nrow_local = MIN(matrix%matrix_struct%nrow_global, matrix%matrix_struct%ncol_global) 686 IF (PRESENT(matrix_struct)) matrix_struct => matrix%matrix_struct 772 IF (source%matrix_struct%nrow_global /= destination%matrix_struct%nrow_global) & 774 IF (source%matrix_struct%ncol_global /= destination%matrix_struct%ncol_global) & 902 IF ((.NOT. cp_fm_struct_equivalent(mtargetr%matrix_struct, msource%matrix_struct)) .OR. & 914 IF ((.NOT. cp_fm_struct_equivalent(mtargeti%matrix_struct, msource%matrix_struct)) .OR. & 954 IF ((.NOT. cp_fm_struct_equivalent(msourcer%matrix_struct, mtarget%matrix_struct)) .OR. & [all …]
H A D	cp_cfm_basic_linalg.F	80 myprow = matrix_a%matrix_struct%context%mepos(1) 202 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 312 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 799 desca = matrix%matrix_struct%descriptor 938 desca = matrix%matrix_struct%descriptor 980 context => matrix_a%matrix_struct%context 988 …nrow_local = MIN(matrix_a%matrix_struct%nrow_locals(myprow), matrix_b%matrix_struct%nrow_locals(my… 989 …ncol_local = MIN(matrix_a%matrix_struct%ncol_locals(mypcol), matrix_b%matrix_struct%ncol_locals(my… 1201 desca = matrix%matrix_struct%descriptor 1202 descc = matrixt%matrix_struct%descriptor [all …]
H A D	cp_fm_basic_linalg.F	146 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 224 desca = matrix_a%matrix_struct%descriptor 298 n = matrix_a%matrix_struct%nrow_global 625 n = matrix_c%matrix_struct%nrow_global 738 …nrow_local = MIN(matrix_a%matrix_struct%nrow_locals(myprow), matrix_b%matrix_struct%nrow_locals(my… 739 …ncol_local = MIN(matrix_a%matrix_struct%ncol_locals(mypcol), matrix_b%matrix_struct%ncol_locals(my… 1504 matrix_struct=matrix_a%matrix_struct, & 1557 matrix_struct=matrix_a%matrix_struct, & 1561 matrix_struct=matrix_a%matrix_struct, & 1584 matrix_struct=matrix_a%matrix_struct, & [all …]
H A D	cp_fm_diag.F	`212 context => matrix%matrix_struct%context 311 n = matrix%matrix_struct%nrow_global 419 n = matrix%matrix_struct%nrow_global 421 context => matrix%matrix_struct%context 545 n = matrix%matrix_struct%nrow_global 556 n = matrix%matrix_struct%nrow_global 572 context => matrix%matrix_struct%context 582 IF (matrix%matrix_struct%nrow_block /= matrix%matrix_struct%ncol_block) THEN 601 nb = matrix%matrix_struct%nrow_block 773 context => matrix%matrix_struct%context [all …]`
H A D	cp_fm_diag_utils.F	`220 num_pe_old = matrix%matrix_struct%para_env%num_pe 328 para_env => matrix%matrix_struct%para_env 332 rdinfo%matrix_order = matrix%matrix_struct%nrow_global 409 matrix%matrix_struct%descriptor, & 411 matrix%matrix_struct%context%group) 418 matrix%matrix_struct%descriptor, & 420 matrix%matrix_struct%context%group) 479 n = matrix%matrix_struct%nrow_global 480 para_env => matrix%matrix_struct%para_env 487 eigenvectors%matrix_struct%context%group) [all …]`
H A D	cp_fm_cholesky.F	`61 my_n = MIN(matrix%matrix_struct%nrow_global, & 62 matrix%matrix_struct%ncol_global) 72 desca(:) = matrix%matrix_struct%descriptor(:) 128 my_n = MIN(matrix%matrix_struct%nrow_global, & 129 matrix%matrix_struct%ncol_global) 140 desca(:) = matrix%matrix_struct%descriptor(:) 198 n = matrix%matrix_struct%nrow_global 208 desca(:) = matrix%matrix_struct%descriptor(:) 269 context => matrix%matrix_struct%context 272 n = matrix%matrix_struct%nrow_global [all …]`
H A D	cp_fm_types.F	`173 CPASSERT(ASSOCIATED(matrix_struct)) 175 context => matrix_struct%context 176 matrix%matrix_struct => matrix_struct 387 n = MIN(matrix%matrix_struct%nrow_global, matrix%matrix_struct%ncol_global) 429 context => matrix%matrix_struct%context 501 context => matrix%matrix_struct%context 556 context => matrix%matrix_struct%context 788 para_env => fm%matrix_struct%para_env 885 IF (PRESENT(matrix_struct)) matrix_struct => matrix%matrix_struct 1275 n = msource%matrix_struct%nrow_global [all …]`
/dports/science/cp2k-data/cp2k-7.1.0/src/fm/
H A D	cp_cfm_types.F	140 CPASSERT(ASSOCIATED(matrix_struct)) 142 context => matrix_struct%context 143 matrix%matrix_struct => matrix_struct 251 nrow_local = MIN(matrix%matrix_struct%nrow_global, matrix%matrix_struct%ncol_global) 686 IF (PRESENT(matrix_struct)) matrix_struct => matrix%matrix_struct 772 IF (source%matrix_struct%nrow_global /= destination%matrix_struct%nrow_global) & 774 IF (source%matrix_struct%ncol_global /= destination%matrix_struct%ncol_global) & 902 IF ((.NOT. cp_fm_struct_equivalent(mtargetr%matrix_struct, msource%matrix_struct)) .OR. & 914 IF ((.NOT. cp_fm_struct_equivalent(mtargeti%matrix_struct, msource%matrix_struct)) .OR. & 954 IF ((.NOT. cp_fm_struct_equivalent(msourcer%matrix_struct, mtarget%matrix_struct)) .OR. & [all …]
H A D	cp_cfm_basic_linalg.F	80 myprow = matrix_a%matrix_struct%context%mepos(1) 202 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 312 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 799 desca = matrix%matrix_struct%descriptor 938 desca = matrix%matrix_struct%descriptor 980 context => matrix_a%matrix_struct%context 988 …nrow_local = MIN(matrix_a%matrix_struct%nrow_locals(myprow), matrix_b%matrix_struct%nrow_locals(my… 989 …ncol_local = MIN(matrix_a%matrix_struct%ncol_locals(mypcol), matrix_b%matrix_struct%ncol_locals(my… 1201 desca = matrix%matrix_struct%descriptor 1202 descc = matrixt%matrix_struct%descriptor [all …]
H A D	cp_fm_basic_linalg.F	145 IF (matrix_a%matrix_struct%context%group /= matrix_b%matrix_struct%context%group) & 223 desca = matrix_a%matrix_struct%descriptor 297 n = matrix_a%matrix_struct%nrow_global 624 n = matrix_c%matrix_struct%nrow_global 737 …nrow_local = MIN(matrix_a%matrix_struct%nrow_locals(myprow), matrix_b%matrix_struct%nrow_locals(my… 738 …ncol_local = MIN(matrix_a%matrix_struct%ncol_locals(mypcol), matrix_b%matrix_struct%ncol_locals(my… 1413 matrix_struct=matrix_a%matrix_struct, & 1466 matrix_struct=matrix_a%matrix_struct, & 1470 matrix_struct=matrix_a%matrix_struct, & 1493 matrix_struct=matrix_a%matrix_struct, & [all …]
H A D	cp_fm_diag.F	`212 context => matrix%matrix_struct%context 311 n = matrix%matrix_struct%nrow_global 419 n = matrix%matrix_struct%nrow_global 421 context => matrix%matrix_struct%context 545 n = matrix%matrix_struct%nrow_global 556 n = matrix%matrix_struct%nrow_global 572 context => matrix%matrix_struct%context 582 IF (matrix%matrix_struct%nrow_block /= matrix%matrix_struct%ncol_block) THEN 601 nb = matrix%matrix_struct%nrow_block 773 context => matrix%matrix_struct%context [all …]`
H A D	cp_fm_diag_utils.F	`220 num_pe_old = matrix%matrix_struct%para_env%num_pe 328 para_env => matrix%matrix_struct%para_env 332 rdinfo%matrix_order = matrix%matrix_struct%nrow_global 409 matrix%matrix_struct%descriptor, & 411 matrix%matrix_struct%context%group) 418 matrix%matrix_struct%descriptor, & 420 matrix%matrix_struct%context%group) 479 n = matrix%matrix_struct%nrow_global 480 para_env => matrix%matrix_struct%para_env 487 eigenvectors%matrix_struct%context%group) [all …]`
H A D	cp_fm_cholesky.F	`61 my_n = MIN(matrix%matrix_struct%nrow_global, & 62 matrix%matrix_struct%ncol_global) 72 desca(:) = matrix%matrix_struct%descriptor(:) 128 my_n = MIN(matrix%matrix_struct%nrow_global, & 129 matrix%matrix_struct%ncol_global) 140 desca(:) = matrix%matrix_struct%descriptor(:) 198 n = matrix%matrix_struct%nrow_global 208 desca(:) = matrix%matrix_struct%descriptor(:) 269 context => matrix%matrix_struct%context 272 n = matrix%matrix_struct%nrow_global [all …]`
H A D	cp_fm_types.F	`178 CPASSERT(ASSOCIATED(matrix_struct)) 180 context => matrix_struct%context 181 matrix%matrix_struct => matrix_struct 394 n = MIN(matrix%matrix_struct%nrow_global, matrix%matrix_struct%ncol_global) 436 context => matrix%matrix_struct%context 508 context => matrix%matrix_struct%context 563 context => matrix%matrix_struct%context 795 para_env => fm%matrix_struct%para_env 892 IF (PRESENT(matrix_struct)) matrix_struct => matrix%matrix_struct 1257 n = msource%matrix_struct%nrow_global [all …]`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	qs_scf_lanczos.F	220 para_env=c0%matrix_struct%para_env, & 221 context=c0%matrix_struct%context) 222 CALL cp_fm_create(c_tmp, matrix_struct=fm_struct_tmp, & 224 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 300 CALL cp_fm_create(c2_tmp, matrix_struct=fm_struct_tmp, & 564 context=c0%matrix_struct%context) 565 CALL cp_fm_create(c_tmp, matrix_struct=fm_struct_tmp, & 567 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 675 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 715 CALL mp_sum(a_block, hc%matrix_struct%para_env%group) [all …]
H A D	rpa_communication.F	128 myprow_s = fm_mat_source%matrix_struct%context%mepos(1) 129 mypcol_s = fm_mat_source%matrix_struct%context%mepos(2) 130 nprow_s = fm_mat_source%matrix_struct%context%num_pe(1) 141 myprow_d = fm_mat_dest%matrix_struct%context%mepos(1) 142 mypcol_d = fm_mat_dest%matrix_struct%context%mepos(2) 143 nprow_d = fm_mat_dest%matrix_struct%context%num_pe(1) 144 npcol_d = fm_mat_dest%matrix_struct%context%num_pe(2) 676 myprow = fm_ia%matrix_struct%context%mepos(1) 677 mypcol = fm_ia%matrix_struct%context%mepos(2) 678 nprow = fm_ia%matrix_struct%context%num_pe(1) [all …]
H A D	matrix_exp.F	`98 matrix_struct=T1%matrix_struct, & 101 matrix_struct=T1%matrix_struct, & 104 matrix_struct=T1%matrix_struct, & 196 matrix_struct=T1%matrix_struct, & 199 matrix_struct=T1%matrix_struct, & 202 matrix_struct=T1%matrix_struct, & 384 matrix_struct=T1%matrix_struct, & 387 matrix_struct=T1%matrix_struct, & 390 matrix_struct=T1%matrix_struct, & 493 matrix_struct=T1%matrix_struct, & [all …]`
H A D	optbas_opt_utils.F	`55 CALL cp_fm_create(QS_inv, matrix_struct=Q%matrix_struct) 56 CALL cp_fm_create(tmp, matrix_struct=Q%matrix_struct) 57 CALL cp_fm_create(tmp2, matrix_struct=tmp1%matrix_struct) 58 CALL cp_fm_create(work, matrix_struct=S_inv_orb%matrix_struct) 59 CALL cp_fm_create(work_orb, matrix_struct=S_inv_orb%matrix_struct)`
H A D	et_coupling_proj.F	442 c_row = mat%matrix_struct%context%mepos(1) 443 c_col = mat%matrix_struct%context%mepos(2) 445 DO i = 1, mat%matrix_struct%nrow_global 446 DO j = 1, mat%matrix_struct%ncol_global 466 DO i = 1, mat%matrix_struct%nrow_global 505 IF (.NOT. cp_fm_struct_equivalent(mat_h%matrix_struct, mat_w%matrix_struct)) & 868 c_row = mo%matrix_struct%context%mepos(1) 971 matrix_struct=ec%block(blk)%mo(j)%mo_set%mo_coeff%matrix_struct, & 1350 CALL cp_fm_create(matrix=mat_sc, matrix_struct=mo%mo_coeff%matrix_struct, & 1436 CALL cp_fm_create(matrix=mat_w, matrix_struct=mo%mo_coeff%matrix_struct, & [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	qs_scf_lanczos.F	220 para_env=c0%matrix_struct%para_env, & 221 context=c0%matrix_struct%context) 222 CALL cp_fm_create(c_tmp, matrix_struct=fm_struct_tmp, & 224 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 300 CALL cp_fm_create(c2_tmp, matrix_struct=fm_struct_tmp, & 564 context=c0%matrix_struct%context) 565 CALL cp_fm_create(c_tmp, matrix_struct=fm_struct_tmp, & 567 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 675 CALL cp_fm_create(hc, matrix_struct=fm_struct_tmp, & 715 CALL mp_sum(a_block, hc%matrix_struct%para_env%group) [all …]
H A D	rpa_communication.F	128 myprow_s = fm_mat_source%matrix_struct%context%mepos(1) 129 mypcol_s = fm_mat_source%matrix_struct%context%mepos(2) 130 nprow_s = fm_mat_source%matrix_struct%context%num_pe(1) 141 myprow_d = fm_mat_dest%matrix_struct%context%mepos(1) 142 mypcol_d = fm_mat_dest%matrix_struct%context%mepos(2) 143 nprow_d = fm_mat_dest%matrix_struct%context%num_pe(1) 144 npcol_d = fm_mat_dest%matrix_struct%context%num_pe(2) 676 myprow = fm_ia%matrix_struct%context%mepos(1) 677 mypcol = fm_ia%matrix_struct%context%mepos(2) 678 nprow = fm_ia%matrix_struct%context%num_pe(1) [all …]
H A D	matrix_exp.F	`98 matrix_struct=T1%matrix_struct, & 101 matrix_struct=T1%matrix_struct, & 104 matrix_struct=T1%matrix_struct, & 196 matrix_struct=T1%matrix_struct, & 199 matrix_struct=T1%matrix_struct, & 202 matrix_struct=T1%matrix_struct, & 384 matrix_struct=T1%matrix_struct, & 387 matrix_struct=T1%matrix_struct, & 390 matrix_struct=T1%matrix_struct, & 493 matrix_struct=T1%matrix_struct, & [all …]`
H A D	optbas_opt_utils.F	`55 CALL cp_fm_create(QS_inv, matrix_struct=Q%matrix_struct) 56 CALL cp_fm_create(tmp, matrix_struct=Q%matrix_struct) 57 CALL cp_fm_create(tmp2, matrix_struct=tmp1%matrix_struct) 58 CALL cp_fm_create(work, matrix_struct=S_inv_orb%matrix_struct) 59 CALL cp_fm_create(work_orb, matrix_struct=S_inv_orb%matrix_struct)`
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A D	rt_delta_pulse.F	125 CALL cp_fm_create(mat_ks, matrix_struct=S_inv_fm%matrix_struct, name="mat_ks") 126 CALL cp_fm_create(eigenvectors, matrix_struct=S_inv_fm%matrix_struct, name="eigenvectors") 130 CALL cp_fm_create(mat_tmp, matrix_struct=S_inv_fm%matrix_struct, name="mat_tmp") 140 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 149 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 194 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 200 …CALL cp_fm_create(mat_tmp, matrix_struct=mos_old(2*ispin - 1)%matrix%matrix_struct, name="tmp_mat") 215 CALL cp_cfm_create(oo_c, oo_1%matrix_struct) 315 CALL cp_fm_create(mat_S, matrix_struct=S_inv_fm%matrix_struct, name="mat_S") 347 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A D	rt_delta_pulse.F	141 CALL cp_fm_create(mat_ks, matrix_struct=S_inv_fm%matrix_struct, name="mat_ks") 142 CALL cp_fm_create(eigenvectors, matrix_struct=S_inv_fm%matrix_struct, name="eigenvectors") 167 CALL cp_fm_create(mat_tmp, matrix_struct=S_inv_fm%matrix_struct, name="mat_tmp") 177 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 186 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 237 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… 243 …CALL cp_fm_create(mat_tmp, matrix_struct=mos_old(2*ispin - 1)%matrix%matrix_struct, name="tmp_mat") 258 CALL cp_cfm_create(oo_c, oo_1%matrix_struct) 360 CALL cp_fm_create(mat_S, matrix_struct=S_inv_fm%matrix_struct, name="mat_S") 392 …m_struct_create(fm_struct_tmp, para_env=S_inv_fm%matrix_struct%para_env, context=S_inv_fm%matrix_s… [all …]

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