Match comparison for y (H) (t=200 au) (match type 17045)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 10-dftbplus_verlet.01-water.inp

General information

Reference	Precision	Mean	Standard deviation	Midpoint	Half width	Status
8.726150915050000e-17	1.000000000000000e-04	1.044568065888314e-16	1.233724777269740e-16	1.569680474154776e-16	1.687782527262592e-16	PASS

Checks for this match

Precision seems large and value close to zero. Should value be 0?

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Detailed information

Reference: 0.0000000000000000872615091505, precision: 0.0001

Run	Value	Difference	Relative difference	Status
spack_foss-2022a_serial_opt	-1.181020531078158e-17	-9.907171446128158e-17	-9.907171446128156e-13	PASS
spack_foss-2022a_serial	-1.181020531078158e-17	-9.907171446128158e-17	-9.907171446128156e-13	PASS
spack_foss-2022a_ppc	3.257463001417368e-16	2.384847909912368e-16	2.384847909912368e-12	PASS
spack_intel-2022a_serial_omp	1.142948458521940e-16	2.703333670169401e-17	2.703333670169401e-13	PASS
spack_foss-2022a_cuda_serial	1.058632975717892e-16	1.860178842128917e-17	1.860178842128917e-13	PASS