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Searched refs:lamat (Results 1 – 22 of 22) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Datom_admm_methods.F74 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: lamat local
209 ALLOCATE (lamat(1:mo, 1:mo))
250 … CALL lowdin_matrix(admm2_orbs%wfna(1:n, 1:mo, l), lamat, admm_int%ovlp(1:n, 1:n, l))
253 … CALL lowdin_matrix(admm2_orbs%wfnb(1:n, 1:mo, l), lamat, admm_int%ovlp(1:n, 1:n, l))
301 DEALLOCATE (lamat)
441 SUBROUTINE lowdin_matrix(wfn, lamat, ovlp) argument
443 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: lamat local
452 lamat = MATMUL(TRANSPOSE(wfn), MATMUL(ovlp, wfn))
454 CALL jacobi(lamat(1:n, 1:n), w(1:n), vmat(1:n, 1:n))
458 lamat(i, j) = 0.0_dp
[all …]
H A Dqs_active_space_methods.F1772 TYPE(cp_fm_type), POINTER :: fm_active, lamat, pmat, vec local
1793 CALL cp_fm_create(lamat, pmat%matrix_struct)
1794 CALL cp_fm_to_fm(pmat, lamat)
1796 CALL cp_fm_sqrt(lamat)
1800 CALL cp_gemm("N", "N", nao, nmo, nmo, 1.0_dp, fm_active, lamat, 0.0_dp, vec)
1804 CALL cp_fm_release(lamat)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Datom_admm_methods.F74 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: lamat local
209 ALLOCATE (lamat(1:mo, 1:mo))
250 … CALL lowdin_matrix(admm2_orbs%wfna(1:n, 1:mo, l), lamat, admm_int%ovlp(1:n, 1:n, l))
253 … CALL lowdin_matrix(admm2_orbs%wfnb(1:n, 1:mo, l), lamat, admm_int%ovlp(1:n, 1:n, l))
301 DEALLOCATE (lamat)
441 SUBROUTINE lowdin_matrix(wfn, lamat, ovlp) argument
443 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: lamat local
452 lamat = MATMUL(TRANSPOSE(wfn), MATMUL(ovlp, wfn))
454 CALL jacobi(lamat(1:n, 1:n), w(1:n), vmat(1:n, 1:n))
458 lamat(i, j) = 0.0_dp
[all …]
H A Dqs_active_space_methods.F1772 TYPE(cp_fm_type), POINTER :: fm_active, lamat, pmat, vec local
1793 CALL cp_fm_create(lamat, pmat%matrix_struct)
1794 CALL cp_fm_to_fm(pmat, lamat)
1796 CALL cp_fm_sqrt(lamat)
1800 CALL cp_gemm("N", "N", nao, nmo, nmo, 1.0_dp, fm_active, lamat, 0.0_dp, vec)
1804 CALL cp_fm_release(lamat)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/
H A Ddim_grid_quadv0.F68 & nscr, lscr, iscr,lamat,iamat,icmat,lcmat
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/
H A Ddim_grid_quadv0.F68 & nscr, lscr, iscr,lamat,iamat,icmat,lcmat
/dports/games/kgoldrunner/kgoldrunner-21.12.3/themes/
H A Degypt.desktop77 Description[lv]=Palīdzi zeltracim Mārtiņam izbēgt no senās Ēģiptes lamatām.
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/
H A Dgrid_quadv0.F90 & nscr, lscr, iscr,lamat,iamat,icmat,lcmat
643 if (.not.MA_Push_Get(mt_dbl,len_Amat,'Amat',lamat,iamat))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/
H A Dgrid_quadv0.F90 & nscr, lscr, iscr,lamat,iamat,icmat,lcmat
643 if (.not.MA_Push_Get(mt_dbl,len_Amat,'Amat',lamat,iamat))
/dports/accessibility/speech-dispatcher/speech-dispatcher-0.10.2/locale/jv/
H A Demojis.dic1414 �� tombol lamat-lamat none
/dports/accessibility/py-speech-dispatcher/speech-dispatcher-0.10.2/locale/jv/
H A Demojis.dic1414 �� tombol lamat-lamat none
/dports/devel/liblouis/liblouis-3.20.0/tests/braille-specs/
H A Dms-my-g2.yaml2508 - "?lamat"
/dports/www/falkon/falkon-3.2.0/poqm/id/
H A Dfalkon_qt.po5660 msgstr "Salin a&lamat gambar"
/dports/games/kgoldrunner/kgoldrunner-21.12.3/po/lv/
H A Dkgoldrunner.po3182 msgstr "Uzmanies no lamatām"
/dports/textproc/ro-hunspell/ro-hunspell-3.3.10/
H A Dro_RO.dic76531 lamat/Q
76532 lamată/A
H A Dro_RO-ante1993.dic76531 lamat/Q
76532 lamată/A
/dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/
H A Dro_RO-Romanian.dic76531 lamat/Q
76532 lamată/A
H A Dis_IS-Icelandic.dic76489 jólamat
H A Dca_CAVA-CatalanValencian.dic195967 triglicol·lamat/_E
H A Dca_ES-Catalan.dic195584 triglicol·lamat/_E
/dports/www/dooble/dooble-2021.12.05/Dictionaries/ro/
H A Dro_RO.dic76258 lamat/Q
76259 lamată/A
/dports/www/dooble/dooble-2021.12.05/Dictionaries/is/
H A Dis.dic76489 jólamat