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提交 aaa6954a 编辑于 作者: Nicolas Tancogne-Dejean's avatar Nicolas Tancogne-Dejean
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Recentering values for the test 04-jellium and 05-output.

上级 3f2ac2a4
分支 improved_testsuite
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testsuite/finite_systems_3d/02-curvilinear_coordinates.test
+ 18
− 20
浏览文件 @ aaa6954a
......@@ -11,25 +11,23 @@ Processors : 1
Input: 02-curvilinear_coordinates.01-gygi.inp
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1
Precision: 1.37e-05
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -2.8681476200000002
Precision: 4.95e-08
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -2.868094165
Precision: 1.00e-15
match ; Ion-ion energy ; GREPFIELD(static/info, 'Ion-ion =', 3) ; 0.0
Precision: 1.55e-05
match ; Eigenvalues sum ; GREPFIELD(static/info, 'Eigenvalues =', 3) ; -1.1522392149999998
Precision: 3.18e-06
match ; Hartree energy ; GREPFIELD(static/info, 'Hartree =', 3) ; 2.021299045
Precision: 9.01e-06
match ; Int[n*v_xc] ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.28991726
Precision: 6.51e-06
match ; Exchange energy ; GREPFIELD(static/info, 'Exchange =', 3) ; -0.873090275
Precision: 3.19e-07
match ; Correlation energy ; GREPFIELD(static/info, 'Correlation =', 3) ; -0.11143892
Precision: 3.87e-05
match ; Kinetic energy ; GREPFIELD(static/info, 'Kinetic =', 3) ; 2.81810045
Precision: 4.71e-05
match ; External energy ; GREPFIELD(static/info, 'External =', 3) ; -6.72301637
Precision: 7.70e-06
match ; Eigenvalue ; GREPFIELD(static/info, '1 --', 3) ; -0.57612
Precision: 4.40e-08
match ; Eigenvalues sum ; GREPFIELD(static/info, 'Eigenvalues =', 3) ; -1.15215002
Precision: 7.15e-08
match ; Hartree energy ; GREPFIELD(static/info, 'Hartree =', 3) ; 2.021329245
Precision: 2.75e-08
match ; Int[n*v_xc] ; GREPFIELD(static/info, 'Int\[n\*v_xc\] =', 3) ; -1.289904945
Precision: 1.65e-08
match ; Exchange energy ; GREPFIELD(static/info, 'Exchange =', 3) ; -0.873081445
Precision: 1.00e-15
match ; Correlation energy ; GREPFIELD(static/info, 'Correlation =', 3) ; -0.11143841
Precision: 9.35e-08
match ; Kinetic energy ; GREPFIELD(static/info, 'Kinetic =', 3) ; 2.818057875
Precision: 1.21e-07
match ; External energy ; GREPFIELD(static/info, 'External =', 3) ; -6.7229614699999996
Precision: 1.00e-15
match ; Eigenvalue ; GREPFIELD(static/info, '1 --', 3) ; -0.576075
testsuite/finite_systems_3d/03-magnetic.test
+ 4
− 4
浏览文件 @ aaa6954a
......@@ -46,13 +46,13 @@ match ; Free energy ; GREPFIELD(static/info, 'Free =', 3) ; -1.944
match ; Fermi energy ; GREPFIELD(static/info, 'Fermi energy =', 4) ; -0.076598
Input: 03-magnetic.04-td-polarized.inp
Precision: 1.71e-10
Precision: 1.8e-10
match ; Energy [step 1] ; LINEFIELD(td.general/energy, -21, 3) ; -1.9262762036195
Precision: 9.54e-10
Precision: 9.6e-10
match ; Energy [step 5] ; LINEFIELD(td.general/energy, -16, 3) ; -1.911634710849
match ; Energy [step 10] ; LINEFIELD(td.general/energy, -11, 3) ; -1.9116346978395
match ; Energy [step 15] ; LINEFIELD(td.general/energy, -6, 3) ; -1.911635199899
match ; Energy [step 20] ; LINEFIELD(td.general/energy, -1, 3) ; -1.911652106716e+00
match ; Energy [step 20] ; LINEFIELD(td.general/energy, -1, 3) ; -1.9116352296944998
Input: 03-magnetic.05-gs-spinors.inp
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1
......@@ -66,7 +66,7 @@ match ; Free energy ; GREPFIELD(static/info, 'Free =', 3) ; -1.944
match ; Fermi energy ; GREPFIELD(static/info, 'Fermi energy =', 4) ; -0.076684
Input: 03-magnetic.06-td-spinors.inp
Precision: 6.16e-11
Precision: 6.2e-10
match ; Energy [step 1] ; LINEFIELD(td.general/energy, -21, 3) ; -1.927155330019
match ; Energy [step 5] ; LINEFIELD(td.general/energy, -16, 3) ; -1.912514037583
match ; Energy [step 10] ; LINEFIELD(td.general/energy, -11, 3) ; -1.9125140252269999
......
testsuite/finite_systems_3d/04-jellium.test
+ 7
− 4
浏览文件 @ aaa6954a
......@@ -14,7 +14,10 @@ Enabled : Yes
Input: 04-jellium.01-ground_state.inp
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -0.57652032
match ; Eigenvalue [s] ; GREPFIELD(static/info, '1 --', 3) ; -0.167698
match ; Eigenvalue [p] ; GREPFIELD(static/info, '2 --', 3) ; -0.122636
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1.0
Precision: 8.69e-07
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -0.57652082
match ; Eigenvalue [s] ; GREPFIELD(static/info, '1 --', 3) ; -0.1677
match ; Eigenvalue [p1] ; GREPFIELD(static/info, '2 --', 3) ; -0.122637
match ; Eigenvalue [p2] ; GREPFIELD(static/info, '2 --', 3) ; -0.122637
match ; Eigenvalue [p3] ; GREPFIELD(static/info, '2 --', 3) ; -0.122637
testsuite/finite_systems_3d/05-output.test
+ 118
− 81
浏览文件 @ aaa6954a
......@@ -7,57 +7,69 @@ Enabled : Yes
Input: 05-output.01-gs.inp
match ; SCF convergence ; GREPCOUNT(static/info, 'SCF converged') ; 1
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -11.99584633
Precision: 2.64e-07
match ; Total energy ; GREPFIELD(static/info, 'Total =', 3) ; -11.99584392
#geometry
Precision : 0.0001
match ; Geometry ; LINEFIELD(static/geometry.xyz, 3, 3) ; 0.000000
# DX output
match ; DX Origin ; LINEFIELD(static/density.dx, 2, 2) ; -2.645886
match ; DX Delta ; LINEFIELD(static/density.dx, 3, 2) ; 0.264589
Precision : 0.000000001
match ; DX Origin ; LINEFIELD(static/density.dx, 2, 2) ; -2.645886
match ; DX Delta ; LINEFIELD(static/density.dx, 3, 2) ; 0.264589
match ; DX value 1 ; LINEFIELD(static/density.dx, 1195, 1) ; 0.000166986832631
match ; DX value 2 ; LINEFIELD(static/density.dx, 1489, 1) ; 0.001133466426887
Precision : 7.78e-10
match ; DX value 1 ; LINEFIELD(static/density.dx, 1195, 1) ; 0.00016698700005600002
Precision: 6.64e-10
match ; DX value 2 ; LINEFIELD(static/density.dx, 1489, 1) ; 0.0011334664393575001
#axis output
Precision : 0.0001
match ; Axis pos 1 ; LINEFIELD(static/density.y\=0\,z\=0, 2, 1) ; -2.64588604295000
match ; Axis pos 9 ; LINEFIELD(static/density.y\=0\,z\=0, 10, 1) ; -0.52917720859000
match ; Axis pos 17 ; LINEFIELD(static/density.y\=0\,z\=0, 18, 1) ; 1.58753162577000
Precision : 0.000000001
match ; Axis value 1 ; LINEFIELD(static/density.y\=0\,z\=0, 2, 2) ; 2.9126589511082397e-06
Precision : 0.000001
match ; Axis value 9 ; LINEFIELD(static/density.y\=0\,z\=0, 10, 2) ; 2.75939509225883E-001
match ; Axis value 17 ; LINEFIELD(static/density.y\=0\,z\=0, 18, 2) ; 6.57093245587566E-003
Precision: 1.00e-15
match ; Axis pos 1 ; LINEFIELD(static/density.y\=0\,z\=0, 2, 1) ; -2.64588604295
Precision: 1.00e-15
match ; Axis pos 9 ; LINEFIELD(static/density.y\=0\,z\=0, 10, 1) ; -0.52917720859
Precision: 1.00e-15
match ; Axis pos 17 ; LINEFIELD(static/density.y\=0\,z\=0, 18, 1) ; 1.58753162577
Precision: 6.65e-10
match ; Axis value 1 ; LINEFIELD(static/density.y\=0\,z\=0, 2, 2) ; 2.912694597814365e-06
Precision: 3.40e-08
match ; Axis value 9 ; LINEFIELD(static/density.y\=0\,z\=0, 10, 2) ; 0.2759394067902575
Precision: 1.76e-09
match ; Axis value 17 ; LINEFIELD(static/density.y\=0\,z\=0, 18, 2) ; 0.006570931292651905
#plane output
Precision : 0.0001
match ; Plane pos 10 Y ; LINEFIELD(static/density.x\=0, 9, 1) ; -2.38129743865500
match ; Plane pos 10 Z ; LINEFIELD(static/density.x\=0, 9, 2) ; -1.05835441718000
match ; Plane pos 30 Y ; LINEFIELD(static/density.x\=0, 29, 1) ; -2.11670883436000
match ; Plane pos 30 Z ; LINEFIELD(static/density.x\=0, 29, 2) ; 1.05835441718000
match ; Plane pos 295 Y ; LINEFIELD(static/density.x\=0, 294, 1) ; 1.58753162577000
match ; Plane pos 295 Z ; LINEFIELD(static/density.x\=0, 294, 2) ; 2.64588604295000E-001
Precision : 0.000000001
match ; Plane value 10 ; LINEFIELD(static/density.x\=0, 9, 3) ; 2.2347505445645253e-05
match ; Plane value 30 ; LINEFIELD(static/density.x\=0, 29, 3) ; 0.0001897651429879145
Precision: 1.3e-09
match ; Plane value 295 ; LINEFIELD(static/density.x\=0, 294, 3) ; 0.00606672446448198
Precision : 0.000000001
match ; Plane value 10 Grad-y v0 ; LINEFIELD(static/grad_v0-y.x\=0, 9, 3) ; -1.42667157278682E+001
Precision: 1.00e-15
match ; Plane pos 10 Y ; LINEFIELD(static/density.x\=0, 9, 1) ; -2.381297438655
Precision: 1.00e-15
match ; Plane pos 10 Z ; LINEFIELD(static/density.x\=0, 9, 2) ; -1.05835441718
Precision: 1.00e-15
match ; Plane pos 30 Y ; LINEFIELD(static/density.x\=0, 29, 1) ; -2.11670883436
Precision: 1.00e-15
match ; Plane pos 30 Z ; LINEFIELD(static/density.x\=0, 29, 2) ; 1.05835441718
Precision: 1.00e-15
match ; Plane pos 295 Y ; LINEFIELD(static/density.x\=0, 294, 1) ; 1.58753162577
Precision: 1.00e-15
match ; Plane pos 295 Z ; LINEFIELD(static/density.x\=0, 294, 2) ; 0.264588604295
Precision: 6.23e-10
match ; Plane value 10 ; LINEFIELD(static/density.x\=0, 9, 3) ; 2.23475844804845e-05
Precision: 7.58e-10
match ; Plane value 30 ; LINEFIELD(static/density.x\=0, 29, 3) ; 0.00018976529576004351
Precision: 8.88e-10
match ; Plane value 295 ; LINEFIELD(static/density.x\=0, 294, 3) ; 0.006066724167324185
Precision: 1.50e-14
match ; Plane value 10 Grad-y v0 ; LINEFIELD(static/grad_v0-y.x\=0, 9, 3) ; -14.2667157278682
#xcrysden
match ; XCrySDen geometry; LINEFIELD(static/geometry.xsf, 2, 3) ; 2.645886
match ; XCrySDen wf 1 ; LINEFIELD(static/wf-st0001.xsf, 2, 3) ; 2.645886
match ; XCrySDen wf 2 ; LINEFIELD(static/wf-st0001.xsf, 8, 1) ; 5.291772
Precision : 0.000001
match ; XCrySDen wf 3 ; LINEFIELD(static/wf-st0001.xsf, 8087, 1) ; 0.010543843731284
match ; XCrySDen wf 4 ; LINEFIELD(static/wf-st0001.xsf, 8546, 1) ; 0.007238401100039
Precision: 1.00e-15
match ; XCrySDen geometry ; LINEFIELD(static/geometry.xsf, 2, 3) ; 2.645886
Precision: 1.00e-15
match ; XCrySDen wf 1 ; LINEFIELD(static/wf-st0001.xsf, 2, 3) ; 2.645886
Precision: 1.00e-15
match ; XCrySDen wf 2 ; LINEFIELD(static/wf-st0001.xsf, 8, 1) ; 5.291772
Precision: 4.36e-10
match ; XCrySDen wf 3 ; LINEFIELD(static/wf-st0001.xsf, 8087, 1) ; 0.010543829910623
Precision: 2.95e-10
match ; XCrySDen wf 4 ; LINEFIELD(static/wf-st0001.xsf, 8546, 1) ; 0.007238386180276
#bader: only works in serial currently
#match ; Num. Bader basins ; GREPFIELD(static/bader_basins-sp1.info, "Number of basins =", 5) ; 6
......@@ -65,56 +77,81 @@ match ; XCrySDen wf 4 ; LINEFIELD(static/wf-st0001.xsf, 8546, 1) ; 0.00723840
#match ; Basin 1 population ; GREPFIELD(static/bader_basins-sp1.info, "population =", 3) ; 0.227759
# wfs axis_x output
match ; wf-st0001 axis_x 2 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 2, 1) ; -2.64588604295000E+000
match ; wf-st0001 axis_x 3 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 3, 1) ; -2.38129743865500E+000
match ; wf-st0001 axis_x 11 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 11, 1) ; -2.64588604295000E-001
match ; wf-st0001 axis_x 12 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 12, 1) ; 0.00000000000000E+000
match ; wf-st0001 axis_x 21 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 21, 1) ; 2.38129743865500E+000
match ; wf-st0001 axis_x 22 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 22, 1) ; 2.64588604295000E+000
match ; wf-st0001 axis_x 2 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 2, 2) ; 1.70641900857292E-003
match ; wf-st0001 axis_x 3 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 3, 2) ; 1.19442352102221E-002
match ; wf-st0001 axis_x 11 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 11, 2) ; 8.51610286603397E-001
match ; wf-st0001 axis_x 12 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 12, 2) ; 1.04679899014083E+000
match ; wf-st0001 axis_x 21 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 21, 2) ; 1.19442352102221E-002
match ; wf-st0001 axis_x 22 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 22, 2) ; 1.70641900857292E-003
Precision: 1.00e-15
match ; wf-st0001 axis_x 2 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 2, 1) ; -2.64588604295
Precision: 1.00e-15
match ; wf-st0001 axis_x 3 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 3, 1) ; -2.381297438655
Precision: 1.00e-15
match ; wf-st0001 axis_x 11 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 11, 1) ; -0.264588604295
Precision: 1.00e-15
match ; wf-st0001 axis_x 12 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 12, 1) ; 0.0
Precision: 1.00e-15
match ; wf-st0001 axis_x 21 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 21, 1) ; 2.381297438655
Precision: 1.00e-15
match ; wf-st0001 axis_x 22 coordinate ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 22, 1) ; 2.64588604295
Precision: 2.57e-10
match ; wf-st0001 axis_x 2 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 2, 2) ; 0.00170642699947013
Precision: 3.70e-10
match ; wf-st0001 axis_x 3 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 3, 2) ; 0.01194425797442955
Precision: 2.58e-09
match ; wf-st0001 axis_x 11 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 11, 2) ; 0.8516104121688215
Precision: 3.98e-09
match ; wf-st0001 axis_x 12 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 12, 2) ; 1.046799173058245
Precision: 3.70e-10
match ; wf-st0001 axis_x 21 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 21, 2) ; 0.01194425797442955
Precision: 2.57e-10
match ; wf-st0001 axis_x 22 value ; LINEFIELD(static/wf-st0001.y\=0\,z\=0, 22, 2) ; 0.001706426999470125
# wfs plane_x output
match ; wf-st0001 plane_x 7 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 7, 1 ) ; -2.64588604295000E+000
match ; wf-st0001 plane_x 9 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 9, 1 ) ; -2.38129743865500E+000
match ; wf-st0001 plane_x 35 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 35, 1 ) ; -1.85212023006500E+000
match ; wf-st0001 plane_x 36 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 36, 1 ) ; -1.85212023006500E+000
match ; wf-st0001 plane_x 78 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 78, 1 ) ; -1.32294302147500E+000
match ; wf-st0001 plane_x 328 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0,328, 1 ) ; 2.11670883436000E+000
match ; wf-st0001 plane_x 7 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 7, 2 ) ; 0.00000000000000E+000
match ; wf-st0001 plane_x 9 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 9, 2 ) ; -1.05835441718000E+000
match ; wf-st0001 plane_x 35 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 35, 2 ) ; -1.32294302147500E+000
match ; wf-st0001 plane_x 36 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 36, 2 ) ; -1.05835441718000E+000
match ; wf-st0001 plane_x 78 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 78, 2 ) ; 7.93765812885000E-001
match ; wf-st0001 plane_x 328 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0,328, 2 ) ; 7.93765812885000E-001
match ; wf-st0001 plane_x 7 value ; LINEFIELD(static/wf-st0001.x\=0, 7, 3 ) ; 1.70641900857292E-003
match ; wf-st0001 plane_x 9 value ; LINEFIELD(static/wf-st0001.x\=0, 9, 3 ) ; 4.72722234956469E-003
match ; wf-st0001 plane_x 35 value ; LINEFIELD(static/wf-st0001.x\=0, 35, 3 ) ; 1.80632735425115E-002
match ; wf-st0001 plane_x 36 value ; LINEFIELD(static/wf-st0001.x\=0, 36, 3 ) ; 2.66022333810161E-002
match ; wf-st0001 plane_x 78 value ; LINEFIELD(static/wf-st0001.x\=0, 78, 3 ) ; 8.79657172129439E-002
match ; wf-st0001 plane_x 328 value ; LINEFIELD(static/wf-st0001.x\=0,328, 3 ) ; 1.91798194418790E-002
Precision: 1.00e-15
match ; wf-st0001 plane_x 7 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 7, 1) ; -2.64588604295
Precision: 1.00e-15
match ; wf-st0001 plane_x 9 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 9, 1) ; -2.381297438655
Precision: 1.00e-15
match ; wf-st0001 plane_x 35 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 35, 1) ; -1.852120230065
Precision: 1.00e-15
match ; wf-st0001 plane_x 36 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 36, 1) ; -1.852120230065
Precision: 1.00e-15
match ; wf-st0001 plane_x 78 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 78, 1) ; -1.322943021475
Precision: 1.00e-15
match ; wf-st0001 plane_x 328 coordinate_x ; LINEFIELD(static/wf-st0001.x\=0, 328, 1) ; 2.11670883436
Precision: 1.00e-15
match ; wf-st0001 plane_x 7 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 7, 2) ; 0.0
Precision: 1.00e-15
match ; wf-st0001 plane_x 9 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 9, 2) ; -1.05835441718
Precision: 1.00e-15
match ; wf-st0001 plane_x 35 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 35, 2) ; -1.322943021475
Precision: 1.00e-15
match ; wf-st0001 plane_x 36 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 36, 2) ; -1.05835441718
Precision: 1.00e-15
match ; wf-st0001 plane_x 78 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 78, 2) ; 0.793765812885
Precision: 1.00e-15
match ; wf-st0001 plane_x 328 coordinate_y ; LINEFIELD(static/wf-st0001.x\=0, 328, 2) ; 0.793765812885
Precision: 2.57e-10
match ; wf-st0001 plane_x 7 value ; LINEFIELD(static/wf-st0001.x\=0, 7, 3) ; 0.001706426999470135
Precision: 2.68e-10
match ; wf-st0001 plane_x 9 value ; LINEFIELD(static/wf-st0001.x\=0, 9, 3) ; 0.004727238253553066
Precision: 6.56e-10
match ; wf-st0001 plane_x 35 value ; LINEFIELD(static/wf-st0001.x\=0, 35, 3) ; 0.01806328883487705
Precision: 4.50e-10
match ; wf-st0001 plane_x 36 value ; LINEFIELD(static/wf-st0001.x\=0, 36, 3) ; 0.026602238194852502
Precision: 5.57e-10
match ; wf-st0001 plane_x 78 value ; LINEFIELD(static/wf-st0001.x\=0, 78, 3) ; 0.0879656680740067
Precision: 5.26e-10
match ; wf-st0001 plane_x 328 value ; LINEFIELD(static/wf-st0001.x\=0, 328, 3) ; 0.0191798325193172
# Convert the density from obf to dx format and check it. This utility runs in parallel.
Program : oct-convert
Input : 05-output.02-convert.inp
match ; Convert to dx (header) ; GREPFIELD(restart/gs/density.dx, 'origin', 2, 0) ; -5.000000
match ; Convert to dx (line 513) ; LINEFIELD(restart/gs/density.dx, 671, 1) ; 0.000097681638760
match ; Convert to dx (line 29355) ; LINEFIELD(restart/gs/density.dx, 9048, 1) ; 0.000002915649324
Precision: 7.92e-10
match ; Convert to dx (header) ; GREPFIELD(restart/gs/density.dx, 'origin', 2, 0) ; -5.0
match ; Convert to dx (line 513) ; LINEFIELD(restart/gs/density.dx, 671, 1) ; 9.76812034415e-05
match ; Convert to dx (line 29355) ; LINEFIELD(restart/gs/density.dx, 9048, 1) ; 2.9126945975e-06
# Convert the density from obf to dx by performing two scalar operations. This utility runs in parallel.
Program : oct-convert
Input : 05-output.03-convert-op.inp
Precision: 3e-09
match ; Convert to dx (line 513) ; LINEFIELD(convert/density.dx, 671, 1) ; 0.000244202526628
Precision: 2e-09
match ; Convert to dx (line 29355) ; LINEFIELD(convert/density.dx, 9048, 1) ; 7.281647378e-06
Precision: 1.98e-09
match ; Convert to dx (line 513) ; LINEFIELD(convert/density.dx, 671, 1) ; 0.0002442030086035
Precision: 1.66e-09
match ; Convert to dx (line 29355) ; LINEFIELD(convert/density.dx, 9048, 1) ; 7.2817364945e-06
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