Searched refs:fm_s_half (Results 1 – 5 of 5) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | population_analyses.F | 93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
108 NULLIFY (fm_s_half)
171 CALL cp_fm_create(matrix=fm_s_half, &
184 CALL copy_dbcsr_to_fm(sm_s, fm_s_half)
185 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
195 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
202 matrix_a=fm_s_half, &
228 CALL cp_fm_release(matrix=fm_s_half)
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| H A D | dft_plus_u.F | 234 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
256 NULLIFY (fm_s_half)
339 fm_s_half => scf_env%s_half
340 CPASSERT(ASSOCIATED(fm_s_half))
411 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
418 matrix_a=fm_s_half, &
425 CALL write_fm_with_basis_info(fm_s_half, 4, 6, qs_env, para_env, &
774 CALL cp_dbcsr_sm_fm_multiply(sm_v, fm_s_half, fm_work1, nsgf)
776 CALL cp_dbcsr_plus_fm_fm_t(sm_h, fm_s_half, fm_work2, nsgf)
802 NULLIFY (fm_s_half)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | population_analyses.F | 93 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
108 NULLIFY (fm_s_half)
171 CALL cp_fm_create(matrix=fm_s_half, &
184 CALL copy_dbcsr_to_fm(sm_s, fm_s_half)
185 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
195 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
202 matrix_a=fm_s_half, &
228 CALL cp_fm_release(matrix=fm_s_half)
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| H A D | qs_tddfpt2_stda_utils.F | 280 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1 local
340 CALL cp_fm_create(matrix=fm_s_half, matrix_struct=fmstruct, name="S^(1/2) MATRIX")
343 CALL copy_dbcsr_to_fm(sm_s, fm_s_half)
344 CALL cp_fm_power(fm_s_half, fm_work1, 0.5_dp, scf_control%eps_eigval, ndep)
349 CALL copy_fm_to_dbcsr(fm_s_half, sm_h)
350 CALL cp_fm_release(matrix=fm_s_half)
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| H A D | dft_plus_u.F | 234 TYPE(cp_fm_type), POINTER :: fm_s_half, fm_work1, fm_work2 local
256 NULLIFY (fm_s_half)
339 fm_s_half => scf_env%s_half
340 CPASSERT(ASSOCIATED(fm_s_half))
411 CALL cp_dbcsr_sm_fm_multiply(sm_p, fm_s_half, fm_work1, nsgf)
418 matrix_a=fm_s_half, &
425 CALL write_fm_with_basis_info(fm_s_half, 4, 6, qs_env, para_env, &
774 CALL cp_dbcsr_sm_fm_multiply(sm_v, fm_s_half, fm_work1, nsgf)
776 CALL cp_dbcsr_plus_fm_fm_t(sm_h, fm_s_half, fm_work2, nsgf)
802 NULLIFY (fm_s_half)
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