File tree Expand file tree Collapse file tree 2 files changed +6
-6
lines changed Expand file tree Collapse file tree 2 files changed +6
-6
lines changed Original file line number Diff line number Diff line change 1
- 0.046108800185045 - 0.541030624050995 - 0.582488361151274
2
- - 0.557355742114270 - 0.117761039586375 - 0.114745145937041
3
- 0.336673769321572 0.649100915564952 0.057748752039102
4
- - 0.123335960183960 0.122383035499940 - 0.332495374793973
5
- 0.301171890086218 - 0.108713996525315 0.974385263713461
1
+ - 0.046108800185045 0.541030624050995 0.582488361151274
2
+ 0.557355742114270 0.117761039586375 0.114745145937041
3
+ - 0.336673769321572 - 0.649100915564952 - 0.057748752039102
4
+ 0.123335960183960 - 0.122383035499940 0.332495374793973
5
+ - 0.301171890086218 0.108713996525315 - 0.974385263713461
Original file line number Diff line number Diff line change @@ -48,7 +48,7 @@ def test_force(self) :
48
48
fp .close ()
49
49
50
50
def test_energy (self ) :
51
- ref_energy = - 0.2193369388E +03
51
+ ref_energy = - 0.2196929065E +03
52
52
self .assertEqual (self .system .data ['energies' ][0 ], ref_energy )
53
53
54
54
You can’t perform that action at this time.
0 commit comments