Searched refs:max_contr (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_o3c_methods.F | 356 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: max_contr, max_contra, max_contrb, & local 469 ALLOCATE (max_contr(max_nset, nbasis), max_contra(max_nset, nbasis), & 479 max_contr = 0.0_dp 490 max_contr(iset, ibasis) = & 496 IF (ilist == 1) max_contra(:, :) = max_contr(:, :) 497 IF (ilist == 2) max_contrb(:, :) = max_contr(:, :) 498 IF (ilist == 3) max_contrc(:, :) = max_contr(:, :) 500 DEALLOCATE (max_contr)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | xas_tdp_integrals.F | 294 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: max_contr, max_contra, max_contrb, & local 370 ALLOCATE (max_contr(max_nset, nbasis), max_contra(max_nset, nbasis), & 380 max_contr = 0.0_dp 391 max_contr(iset, ibasis) = & 397 IF (ilist == 1) max_contra(:, :) = max_contr(:, :) 398 IF (ilist == 2) max_contrb(:, :) = max_contr(:, :) 399 IF (ilist == 3) max_contrc(:, :) = max_contr(:, :) 401 DEALLOCATE (max_contr)
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/dports/science/cp2k-data/cp2k-7.1.0/benchmarks/QS_DM_LS/ |
H A D | README.md | 41 …K flags: omp libint fftw3 libxc elpa parallel mpi3 scalapack acc pw_cuda xsmm dbcsr_acc max_contr=4
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/benchmarks/QS_DM_LS/ |
H A D | README.md | 41 …K flags: omp libint fftw3 libxc elpa parallel mpi3 scalapack acc pw_cuda xsmm dbcsr_acc max_contr=4
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