Searched refs:aitchev_T (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_chebyshev.F | 118 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec local
222 ALLOCATE (aitchev_T(1:ncheb, 1:nwindow)) !after intergral. =>ainte
233 aitchev_T(icheb, iwindow) = summa
264 …CALL dbcsr_scale(matrix_dummy1, kernel_g(1)*aitchev_T(1, iwindow)) !first term of chebyshev poly(m…
265 …CALL dbcsr_scale(matrix_dummy2(iwindow), 2.0_dp*kernel_g(2)*aitchev_T(2, iwindow)) !second term of…
283 …CALL dbcsr_scale(matrix_dummy1, 2.0_dp*kernel_g(icheb + 1)*aitchev_T(icheb + 1, iwindow)) !second …
363 … dummy2(iwindow) = dummy2(iwindow) + kernel_g(icheb)*aitchev_T(icheb, iwindow)*chev_T_dos
369 gdensity(igrid, iwindow) = kernel_g(1)*aitchev_T(1, iwindow) + 2.0_dp*dummy2(iwindow)
391 DEALLOCATE (mu, kernel_g, aitchev_T, E_inte, sqrt_vec)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_chebyshev.F | 118 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: aitchev_T, E_inte, gdensity, sqrt_vec local
222 ALLOCATE (aitchev_T(1:ncheb, 1:nwindow)) !after intergral. =>ainte
233 aitchev_T(icheb, iwindow) = summa
264 …CALL dbcsr_scale(matrix_dummy1, kernel_g(1)*aitchev_T(1, iwindow)) !first term of chebyshev poly(m…
265 …CALL dbcsr_scale(matrix_dummy2(iwindow), 2.0_dp*kernel_g(2)*aitchev_T(2, iwindow)) !second term of…
283 …CALL dbcsr_scale(matrix_dummy1, 2.0_dp*kernel_g(icheb + 1)*aitchev_T(icheb + 1, iwindow)) !second …
363 … dummy2(iwindow) = dummy2(iwindow) + kernel_g(icheb)*aitchev_T(icheb, iwindow)*chev_T_dos
369 gdensity(igrid, iwindow) = kernel_g(1)*aitchev_T(1, iwindow) + 2.0_dp*dummy2(iwindow)
391 DEALLOCATE (mu, kernel_g, aitchev_T, E_inte, sqrt_vec)
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