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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dgauss_colloc.F271 l_bounds(1, :) = 0
281 l_ub = l_bounds(2, :)-l_bounds(1, :)+l_shift
291 CPASSERT(ALL(l_bounds(2, :)-l_bounds(1, :) < ndim))
376 IF (imax+shiftPos(0) < l_bounds(1, 0) .OR. imin+shiftPos(0) > l_bounds(2, 0)) RETURN
380 has_overlap = l_bounds(1, 1) == 0 .AND. l_bounds(2, 1) == ndim(1)-1
413 has_overlap = l_bounds(1, 2) == 0 .AND. l_bounds(2, 2) == ndim(2)-1
477 IF (period(1) == 0) max_j = MIN(max_j, l_bounds(2, 1)-l_bounds(1, 1)+1)
495 iJump = ndim(0)-l_bounds(2, 0)+l_bounds(1, 0)-1
496 jJump = ndim(1)-l_bounds(2, 1)+l_bounds(1, 1)-1
608 iJump = ndim(0)-l_bounds(2, 0)+l_bounds(1, 0)-1
[all …]
H A Dcolloc_int_kloop.fypp50 kJump=ndim(2)-l_bounds(2,2)+l_bounds(1,2)
57 kend=MIN(ikShift+l_bounds(2,2),kmax)
65 kend2=MAX(ikShift2+l_bounds(1,2),kmin)
106 ig = ii * (l_bounds(2,2)-l_bounds(1,2)+1) * (l_bounds(2,1)-l_bounds(1,1)+1) + &
107 ij * (l_bounds(2,2)-l_bounds(1,2)+1) + ik + 1
160 ig = ii * (l_bounds(2,2)-l_bounds(1,2)+1) * (l_bounds(2,1)-l_bounds(1,1)+1) + &
161 ij * (l_bounds(2,2)-l_bounds(1,2)+1) + ik + 1
210 ig = ii * (l_bounds(2,2)-l_bounds(1,2)+1) * (l_bounds(2,1)-l_bounds(1,1)+1) + &
211 ij * (l_bounds(2,2)-l_bounds(1,2)+1) + ik + 1
262 ig = ii * (l_bounds(2,2)-l_bounds(1,2)+1) * (l_bounds(2,1)-l_bounds(1,1)+1) + &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dgauss_colloc.F258 l_bounds(1, :) = 0
268 l_ub = l_bounds(2, :) - l_bounds(1, :) + l_shift
278 CPASSERT(ALL(l_bounds(2, :) - l_bounds(1, :) < ndim))
363 IF (imax + shiftPos(0) < l_bounds(1, 0) .OR. imin + shiftPos(0) > l_bounds(2, 0)) RETURN
367 has_overlap = l_bounds(1, 1) == 0 .AND. l_bounds(2, 1) == ndim(1) - 1
400 has_overlap = l_bounds(1, 2) == 0 .AND. l_bounds(2, 2) == ndim(2) - 1
464 IF (period(1) == 0) max_j = MIN(max_j, l_bounds(2, 1) - l_bounds(1, 1) + 1)
482 iJump = ndim(0) - l_bounds(2, 0) + l_bounds(1, 0) - 1
483 jJump = ndim(1) - l_bounds(2, 1) + l_bounds(1, 1) - 1
595 iJump = ndim(0) - l_bounds(2, 0) + l_bounds(1, 0) - 1
[all …]
H A Dcolloc_int_kloop.fypp50 kJump=ndim(2)-l_bounds(2,2)+l_bounds(1,2)
52 ikShift=shiftPos(2)-l_bounds(2,2)+kstart
55 ! ikShift=CEILING(REAL(shiftPos(2)-l_bounds(2,2)+kstart)/REAL(ndim(2)))*ndim(2)-shiftPos(2)
56 kstart=MAX(ikShift+l_bounds(1,2),kstart)
57 kend=MIN(ikShift+l_bounds(2,2),kmax)
58 ikstart=kstart-ikShift-l_bounds(1,2)+l_shift(2)
60 ikShift2=shiftPos(2)+kstart2-l_bounds(1,2)
63 !ikShift2=FLOOR(REAL(shiftPos(2)+kstart2-l_bounds(1,2))/REAL(ndim(2)))*ndim(2)-shiftPos(2)
64 kstart2=MIN(ikShift2+l_bounds(2,2),kstart2)
65 kend2=MAX(ikShift2+l_bounds(1,2),kmin)
[all …]
/dports/science/py-scipy/scipy-1.7.1/doc/source/tutorial/stats/plots/
H A Dqmc_plot_discrepancy.py10 l_bounds = [0.5, 0.5] variable
12 space_1 = qmc.scale(space_1, l_bounds, u_bounds, reverse=True)
13 space_2 = qmc.scale(space_2, l_bounds, u_bounds, reverse=True)
/dports/science/py-scipy/scipy-1.7.1/scipy/stats/tests/
H A Dtest_qmc.py22 scaled_space = qmc.scale(space, l_bounds=-2, u_bounds=6)
35 scaled_back_space = qmc.scale(scaled_space, l_bounds=bounds[0],
41 l_bounds, u_bounds = 0, [6, 5, 3]
44 scaled_space = qmc.scale(space, l_bounds=l_bounds, u_bounds=u_bounds)
60 qmc.scale(space, l_bounds=-2, u_bounds=6)
66 qmc.scale(space, l_bounds=bounds[0], u_bounds=bounds[1])
72 l_bounds, u_bounds = [-2, 0, 2], [6, 5]
73 qmc.scale(space, l_bounds=l_bounds, u_bounds=u_bounds)
79 qmc.scale(space, l_bounds=bounds[0], u_bounds=bounds[1])
85 qmc.scale(space, l_bounds=bounds[0], u_bounds=bounds[1])
[all …]
/dports/science/py-scipy/scipy-1.7.1/scipy/stats/
H A D_qmc.py97 l_bounds: npt.ArrayLike,
155 lower = np.atleast_1d(l_bounds)
/dports/science/py-scipy/scipy-1.7.1/doc/source/tutorial/
H A Dstats.rst1325 >>> l_bounds = [0.5, 0.5]
1327 >>> space_1 = qmc.scale(space_1, l_bounds, u_bounds, reverse=True)
1328 >>> space_2 = qmc.scale(space_2, l_bounds, u_bounds, reverse=True)