Input 01-casida.05-casida.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
1st eps-diff E 3.007001490000000e-01 3.007001490000000e-01 1.500000000000000e-08 0.000000000000000e+00 PASS
3rd eps-diff E 3.537266430000000e-01 3.537266430000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
1st eps-diff f 9.007924560000000e-22 0.000000000000000e+00 1.000000000000000e-08 9.007924560000000e-22 PASS
7th eps-diff f 4.382546630000000e-23 0.000000000000000e+00 1.000000000000000e-08 4.382546630000000e-23 PASS
1st Petersilka E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd Petersilka E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
3rd Petersilka E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka E 4.543886450000000e-01 4.543886450000000e-01 2.270000000000000e-08 0.000000000000000e+00 PASS
1st Petersilka f 1.033395040000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.033395040000000e-21 PASS
2nd Petersilka f 1.033400010000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.033400010000000e-21 PASS
7th Petersilka f 4.964738300000000e-02 4.964738300000000e-02 2.480000000000000e-08 0.000000000000000e+00 PASS
9th Petersilka f 4.974314900000000e-02 4.974314900000000e-02 2.490000000000000e-08 0.000000000000000e+00 PASS
1st Casida E 3.421134150000000e-01 3.421134150000000e-01 1.710000000000000e-08 0.000000000000000e+00 PASS
2nd Casida E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd Casida E 3.738606100000000e-01 3.738606100000000e-01 1.870000000000000e-07 0.000000000000000e+00 PASS
1st Casida f 9.212309620000000e-22 0.000000000000000e+00 1.000000000000000e-08 9.212309620000000e-22 PASS
3rd Casida f 3.965998070000000e-30 0.000000000000000e+00 1.000000000000000e-08 3.965998070000000e-30 PASS
9th Casida f 4.597283840000000e-02 4.597291150000000e-02 1.420000000000000e-06 -7.310000000454453e-08 PASS
1st TDA E 3.449651910000000e-01 3.449651910000000e-01 1.720000000000000e-08 0.000000000000000e+00 PASS
2nd TDA E 3.537266420000000e-01 3.537266420000000e-01 1.770000000000000e-08 0.000000000000000e+00 PASS
3rd TDA E 3.744336180000000e-01 3.744336180000000e-01 1.870000000000000e-08 0.000000000000000e+00 PASS
1st TDA f 1.055045230000000e-21 0.000000000000000e+00 1.000000000000000e-08 1.055045230000000e-21 PASS
3rd TDA f 6.041090790000000e-30 0.000000000000000e+00 1.000000000000000e-08 6.041090790000000e-30 PASS
9th TDA f 4.588139640000000e-02 4.588147104999999e-02 1.460000000000000e-06 -7.464999998707533e-08 PASS
1st eps-diff force 1 1 -2.484990000000000e-01 -2.484920000000000e-01 1.240000000000000e-05 -7.000000000007001e-06 PASS
1st eps-diff force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th eps-diff force 1 1 -1.545500000000000e-02 -1.545000000000000e-02 7.730000000000000e-05 -4.999999999999796e-06 PASS
1st Pet force 1 1 -2.419290000000000e-01 -2.419220000000000e-01 1.210000000000000e-05 -7.000000000007001e-06 PASS
1st Pet force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th Pet force 1 1 -1.665320000000000e-01 -1.665320000000000e-01 8.330000000000000e-06 0.000000000000000e+00 PASS
1st TDA force 1 1 -2.419290000000000e-01 -2.419220000000000e-01 1.210000000000000e-05 -7.000000000007001e-06 PASS
1st TDA force 1 2 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
9th TDA force 1 1 -1.664160000000000e-01 -1.664170000000000e-01 8.320000000000000e-06 1.000000000001000e-06 PASS
Compare to other inputs