Searched defs:direct_mini (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_localization_methods.F | 950 CHARACTER(len=*), PARAMETER :: routineN = 'direct_mini', routineP = moduleN//':'//routineN argument
955 COMPLEX(KIND=dp) :: lk, ll, tmp
958 INTEGER :: handle, i, icol, idim, irow, &
960 lsm, lsr, n, ncol_local, ndim, &
964 … REAL(KIND=dp) :: a, b, beta_pr, c, denom, ds, ds_min, fa, &
965 fb, fc, nom, normg, normg_cross, &
966 normg_old, npos, omega, tol, val, x0, &
967 x1, xa, xb, xc
968 REAL(KIND=dp), DIMENSION(150) :: energy, grad, pos
969 REAL(KIND=dp), DIMENSION(:), POINTER :: evals, fval, fvald
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_localization_methods.F | 950 CHARACTER(len=*), PARAMETER :: routineN = 'direct_mini', routineP = moduleN//':'//routineN argument
955 COMPLEX(KIND=dp) :: lk, ll, tmp
958 INTEGER :: handle, i, icol, idim, irow, &
960 lsm, lsr, n, ncol_local, ndim, &
964 … REAL(KIND=dp) :: a, b, beta_pr, c, denom, ds, ds_min, fa, &
965 fb, fc, nom, normg, normg_cross, &
966 normg_old, npos, omega, tol, val, x0, &
967 x1, xa, xb, xc
968 REAL(KIND=dp), DIMENSION(150) :: energy, grad, pos
969 REAL(KIND=dp), DIMENSION(:), POINTER :: evals, fval, fvald
[all …]
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