Searched refs:icheb (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_chebyshev.F | 225 DO icheb = 1, ncheb
227 CALL chebyshev_poly(final, E_inte(1, iwindow), icheb)
233 aitchev_T(icheb, iwindow) = summa
270 DO icheb = 2, ncheb - 1
278 CALL kernel(kernel_g(icheb + 1), icheb + 1, ncheb)
283 …CALL dbcsr_scale(matrix_dummy1, 2.0_dp*kernel_g(icheb + 1)*aitchev_T(icheb + 1, iwindow)) !second …
291 IF (unit_nr > 0 .AND. MOD(icheb, 20) == 0) THEN
298 "Iter.", icheb, "time=", t2 - t1, "occ=", occ
359 DO icheb = 2, ncheb
361 dummy1 = dummy1 + kernel_g(icheb)*mu(icheb)*chev_T_dos
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_chebyshev.F | 225 DO icheb = 1, ncheb
227 CALL chebyshev_poly(final, E_inte(1, iwindow), icheb)
233 aitchev_T(icheb, iwindow) = summa
270 DO icheb = 2, ncheb - 1
278 CALL kernel(kernel_g(icheb + 1), icheb + 1, ncheb)
283 …CALL dbcsr_scale(matrix_dummy1, 2.0_dp*kernel_g(icheb + 1)*aitchev_T(icheb + 1, iwindow)) !second …
291 IF (unit_nr > 0 .AND. MOD(icheb, 20) == 0) THEN
298 "Iter.", icheb, "time=", t2 - t1, "occ=", occ
359 DO icheb = 2, ncheb
361 dummy1 = dummy1 + kernel_g(icheb)*mu(icheb)*chev_T_dos
[all …]
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