Input 30-local_multipoles.02-multipoles.inp

Commits > Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 > Run intel-2022a_omp_impi

Matches

Name Value Reference Precision Difference Status
C - Start Arrow 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
C - End Arrow 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
H1 - Start Arrow 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 - End Arrow 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H3 - Start Arrow 6.462280000000000e-01 6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 - End Arrow 7.394130000000000e-01 7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
Restart ld 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
C - Restart shape 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H1 - Restart shape 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H2 - Restart shape 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H3 - Restart shape 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H4 - Restart shape 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
C Electrons 4.268876175113522e+00 4.268876175113510e+00 9.800000000000000e-14 1.154631945610163e-14 PASS
C Multipole x -2.917938039633512e-17 0.000000000000000e+00 1.000000000000000e-13 -2.917938039633512e-17 PASS
C Multipole y 4.363018190904076e-16 0.000000000000000e+00 1.000000000000000e-13 4.363018190904076e-16 PASS
C Multipole z 1.898516385997046e-16 0.000000000000000e+00 1.000000000000000e-13 1.898516385997046e-16 PASS
H1 Electrons 1.853378625135806e+00 1.853378625135800e+00 9.270000000000000e-13 5.995204332975845e-15 PASS
H1 Multipole x 3.942030529108310e-01 3.942030529108260e-01 1.970000000000000e-14 4.996003610813204e-15 PASS
H1 Multipole y 3.942030529108311e-01 3.942030529108260e-01 1.970000000000000e-14 5.107025913275720e-15 PASS
H1 Multipole z 3.942030529108315e-01 3.942030529108260e-01 1.970000000000000e-14 5.440092820663267e-15 PASS
H2 Electrons 1.853378625135805e+00 1.853378625135800e+00 9.270000000000000e-13 5.329070518200751e-15 PASS
H2 Multipole x -3.942030529108306e-01 -3.942030529108270e-01 1.970000000000000e-14 -3.608224830031759e-15 PASS
H2 Multipole y -3.942030529108316e-01 -3.942030529108270e-01 1.970000000000000e-14 -4.551914400963142e-15 PASS
H2 Multipole z 3.942030529108305e-01 3.942030529108260e-01 1.970000000000000e-14 4.496403249731884e-15 PASS
H3 Electrons 8.373541370224169e-01 8.373541370224170e-01 4.190000000000000e-14 -1.110223024625157e-16 PASS
H3 Multipole x 9.318564596661207e-02 9.318564596661100e-02 4.660000000000000e-15 1.068589661201713e-15 PASS
H3 Multipole y -9.318564596661207e-02 -9.318564596661090e-02 4.660000000000000e-15 -1.165734175856414e-15 PASS
H3 Multipole z -9.318564596661212e-02 -9.318564596661090e-02 4.660000000000000e-15 -1.221245327087672e-15 PASS
H4 Electrons 7.458228542883100e-01 7.458228542883090e-01 3.730000000000000e-14 9.992007221626409e-16 PASS
H4 Multipole x -7.825277728029095e-02 -7.825277728028980e-02 3.910000000000000e-15 -1.151856388048600e-15 PASS
H4 Multipole y 6.902543299263664e-02 6.902543299263569e-02 2.000000000000000e-14 9.436895709313831e-16 PASS
H4 Multipole z -6.902543299263658e-02 -6.902543299263590e-02 3.450000000000000e-15 -6.800116025829084e-16 PASS
H2-4 Electrons 5.309982087168726e+00 5.309982087168730e+00 2.650000000000000e-13 -3.552713678800501e-15 PASS
H2-4 Multipole x -3.863555142688257e-01 -3.863555142688260e-01 1.930000000000000e-14 2.775557561562891e-16 PASS
H2-4 Multipole y -3.863555142688270e-01 -3.863555142688210e-01 1.930000000000000e-14 -5.995204332975845e-15 PASS
H2-4 Multipole z -3.863555142688272e-01 -3.863555142688250e-01 1.930000000000000e-14 -2.220446049250313e-15 PASS
H1 Start Arrow y 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 Start Arrow z 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 End Arrow y 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H1 End Arrow z 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H3 Start Arrow y -6.462280000000000e-01 -6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 Start Arrow z -6.462280000000000e-01 -6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 End Arrow y -7.394130000000000e-01 -7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
H3 End Arrow z -7.394130000000000e-01 -7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
H2-4 Start Arrow x -3.776200000000000e-02 -3.776200000000000e-02 1.890000000000000e-16 0.000000000000000e+00 PASS
H2-4 Start Arrow y -3.776200000000000e-02 -3.776200000000000e-02 1.890000000000000e-16 0.000000000000000e+00 PASS
H2-4 Start Arrow z -3.776200000000000e-02 -3.776200000000000e-02 1.890000000000000e-16 0.000000000000000e+00 PASS
H2-4 End Arrow x -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 End Arrow y -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 End Arrow z -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 Restart shape 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
Compare to other inputs