Searched refs:vecbuffer2 (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xas_restart.F | 459 REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer2 local 474 ALLOCATE (vecbuffer2(1, nexc_search)) 475 vecbuffer2 = 0.0_dp 484 CALL cp_fm_get_submatrix(excvec_overlap, vecbuffer2, 1, 1, & 491 a_max = ABS(vecbuffer2(1, i)) 515 DEALLOCATE (vecbuffer, vecbuffer2)
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H A D | xas_tp_scf.F | 414 REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer2 local 436 NULLIFY (cell, particle_set, local_preconditioner, vecbuffer, vecbuffer2) 469 ALLOCATE (vecbuffer2(1, nao)) 470 vecbuffer2 = 0.0_dp 502 CALL cp_fm_get_submatrix(mo_coeff, vecbuffer2, 1, my_state, & 551 CALL cp_fm_set_submatrix(excvec_coeff, vecbuffer2, 1, 1, & 622 DEALLOCATE (vecbuffer2)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | xas_restart.F | 459 REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer2 local 474 ALLOCATE (vecbuffer2(1, nexc_search)) 475 vecbuffer2 = 0.0_dp 484 CALL cp_fm_get_submatrix(excvec_overlap, vecbuffer2, 1, 1, & 491 a_max = ABS(vecbuffer2(1, i)) 515 DEALLOCATE (vecbuffer, vecbuffer2)
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H A D | xas_tp_scf.F | 414 REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer2 local 436 NULLIFY (cell, particle_set, local_preconditioner, vecbuffer, vecbuffer2) 469 ALLOCATE (vecbuffer2(1, nao)) 470 vecbuffer2 = 0.0_dp 502 CALL cp_fm_get_submatrix(mo_coeff, vecbuffer2, 1, my_state, & 551 CALL cp_fm_set_submatrix(excvec_coeff, vecbuffer2, 1, 1, & 622 DEALLOCATE (vecbuffer2)
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