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path:
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tests
/
singlebond_stretch
Mode
Name
Size
-rwxr-xr-x
Atom.py
1990
log
plain
-rwxr-xr-x
Cl_AlH2.mmp
695
log
plain
-rwxr-xr-x
Cl_BH2.mmp
689
log
plain
-rwxr-xr-x
Cl_CH3.mmp
731
log
plain
-rwxr-xr-x
Cl_Cl.mmp
605
log
plain
-rwxr-xr-x
Cl_F.mmp
598
log
plain
-rwxr-xr-x
Cl_NH2.mmp
687
log
plain
-rwxr-xr-x
Cl_OH.mmp
639
log
plain
-rwxr-xr-x
Cl_PH2.mmp
692
log
plain
-rwxr-xr-x
Cl_SH.mmp
642
log
plain
-rwxr-xr-x
Cl_SiH3.mmp
739
log
plain
-rwxr-xr-x
CreateTests.py
965
log
plain
-rwxr-xr-x
F_AlH2.mmp
689
log
plain
-rwxr-xr-x
F_BH2.mmp
683
log
plain
-rwxr-xr-x
F_CH3.mmp
725
log
plain
-rwxr-xr-x
F_F.mmp
593
log
plain
-rwxr-xr-x
F_NH2.mmp
679
log
plain
-rwxr-xr-x
F_OH.mmp
632
log
plain
-rwxr-xr-x
F_PH2.mmp
685
log
plain
-rwxr-xr-x
F_SH.mmp
637
log
plain
-rwxr-xr-x
F_SiH3.mmp
733
log
plain
-rwxr-xr-x
H2Al_AlH2.mmp
781
log
plain
-rwxr-xr-x
H2Al_CH3.mmp
816
log
plain
-rwxr-xr-x
H2Al_SiH3.mmp
825
log
plain
-rwxr-xr-x
H2B_AlH2.mmp
775
log
plain
-rwxr-xr-x
H2B_BH2.mmp
769
log
plain
-rwxr-xr-x
H2B_CH3.mmp
811
log
plain
-rwxr-xr-x
H2B_NH2.mmp
770
log
plain
-rwxr-xr-x
H2B_PH2.mmp
775
log
plain
-rwxr-xr-x
H2B_SiH3.mmp
818
log
plain
-rwxr-xr-x
H2N_AlH2.mmp
775
log
plain
-rwxr-xr-x
H2N_CH3.mmp
813
log
plain
-rwxr-xr-x
H2N_NH2.mmp
780
log
plain
-rwxr-xr-x
H2N_PH2.mmp
776
log
plain
-rwxr-xr-x
H2N_SiH3.mmp
819
log
plain
-rwxr-xr-x
H2P_AlH2.mmp
783
log
plain
-rwxr-xr-x
H2P_CH3.mmp
815
log
plain
-rwxr-xr-x
H2P_PH2.mmp
786
log
plain
-rwxr-xr-x
H2P_SiH3.mmp
825
log
plain
-rwxr-xr-x
H3C_CH3.mmp
855
log
plain
-rwxr-xr-x
H3C_SiH3.mmp
863
log
plain
-rwxr-xr-x
H3Si_SiH3.mmp
871
log
plain
-rwxr-xr-x
HO_AlH2.mmp
727
log
plain
-rwxr-xr-x
HO_BH2.mmp
721
log
plain
-rwxr-xr-x
HO_CH3.mmp
766
log
plain
-rwxr-xr-x
HO_NH2.mmp
729
log
plain
-rwxr-xr-x
HO_OH.mmp
680
log
plain
-rwxr-xr-x
HO_PH2.mmp
730
log
plain
-rwxr-xr-x
HO_SiH3.mmp
774
log
plain
-rwxr-xr-x
HS_AlH2.mmp
731
log
plain
-rwxr-xr-x
HS_BH2.mmp
723
log
plain
-rwxr-xr-x
HS_CH3.mmp
768
log
plain
-rwxr-xr-x
HS_NH2.mmp
729
log
plain
-rwxr-xr-x
HS_OH.mmp
680
log
plain
-rwxr-xr-x
HS_PH2.mmp
735
log
plain
-rwxr-xr-x
HS_SH.mmp
688
log
plain
-rwxr-xr-x
HS_SiH3.mmp
777
log
plain
-rwxr-xr-x
H_AlH2.mmp
683
log
plain
-rwxr-xr-x
H_BH2.mmp
678
log
plain
-rwxr-xr-x
H_CH3.mmp
721
log
plain
-rwxr-xr-x
H_Cl.mmp
597
log
plain
-rwxr-xr-x
H_F.mmp
591
log
plain
-rwxr-xr-x
H_H.mmp
585
log
plain
-rwxr-xr-x
H_NH2.mmp
680
log
plain
-rwxr-xr-x
H_OH.mmp
634
log
plain
-rwxr-xr-x
H_PH2.mmp
682
log
plain
-rwxr-xr-x
H_SH.mmp
637
log
plain
-rwxr-xr-x
H_SiH3.mmp
728
log
plain
-rwxr-xr-x
MmpFile.py
3958
log
plain
-rwxr-xr-x
README
845
log
plain
-rwxr-xr-x
XyzFile.py
2477
log
plain
-rwxr-xr-x
damianFiles
732
log
plain
-rwxr-xr-x
test_Cl_AlH2.mmp
704
log
plain
-rwxr-xr-x
test_Cl_AlH2.test
12
log
plain
-rwxr-xr-x
test_Cl_AlH2.xyzcmp
139
log
plain
-rwxr-xr-x
test_Cl_BH2.mmp
696
log
plain
-rwxr-xr-x
test_Cl_BH2.test
12
log
plain
-rwxr-xr-x
test_Cl_BH2.xyzcmp
137
log
plain
-rwxr-xr-x
test_Cl_CH3.mmp
739
log
plain
-rwxr-xr-x
test_Cl_CH3.test
12
log
plain
-rwxr-xr-x
test_Cl_CH3.xyzcmp
166
log
plain
-rwxr-xr-x
test_Cl_Cl.mmp
613
log
plain
-rwxr-xr-x
test_Cl_Cl.test
12
log
plain
-rwxr-xr-x
test_Cl_Cl.xyzcmp
73
log
plain
-rwxr-xr-x
test_Cl_F.mmp
607
log
plain
-rwxr-xr-x
test_Cl_F.test
12
log
plain
-rwxr-xr-x
test_Cl_F.xyzcmp
71
log
plain
-rwxr-xr-x
test_Cl_NH2.mmp
696
log
plain
-rwxr-xr-x
test_Cl_NH2.test
12
log
plain
-rwxr-xr-x
test_Cl_NH2.xyzcmp
136
log
plain
-rwxr-xr-x
test_Cl_OH.mmp
648
log
plain
-rwxr-xr-x
test_Cl_OH.test
12
log
plain
-rwxr-xr-x
test_Cl_OH.xyzcmp
103
log
plain
-rwxr-xr-x
test_Cl_PH2.mmp
698
log
plain
-rwxr-xr-x
test_Cl_PH2.test
12
log
plain
-rwxr-xr-x
test_Cl_PH2.xyzcmp
137
log
plain
-rwxr-xr-x
test_Cl_SH.mmp
647
log
plain
-rwxr-xr-x
test_Cl_SH.test
12
log
plain
-rwxr-xr-x
test_Cl_SH.xyzcmp
103
log
plain
-rwxr-xr-x
test_Cl_SiH3.mmp
753
log
plain
-rwxr-xr-x
test_Cl_SiH3.test
12
log
plain
-rwxr-xr-x
test_Cl_SiH3.xyzcmp
168
log
plain
-rwxr-xr-x
test_F_AlH2.mmp
694
log
plain
-rwxr-xr-x
test_F_AlH2.test
12
log
plain
-rwxr-xr-x
test_F_AlH2.xyzcmp
137
log
plain
-rwxr-xr-x
test_F_BH2.mmp
688
log
plain
-rwxr-xr-x
test_F_BH2.test
12
log
plain
-rwxr-xr-x
test_F_BH2.xyzcmp
135
log
plain
-rwxr-xr-x
test_F_CH3.mmp
740
log
plain
-rwxr-xr-x
test_F_CH3.test
12
log
plain
-rwxr-xr-x
test_F_CH3.xyzcmp
164
log
plain
-rwxr-xr-x
test_F_F.mmp
601
log
plain
-rwxr-xr-x
test_F_F.test
12
log
plain
-rwxr-xr-x
test_F_F.xyzcmp
69
log
plain
-rwxr-xr-x
test_F_NH2.mmp
691
log
plain
-rwxr-xr-x
test_F_NH2.test
12
log
plain
-rwxr-xr-x
test_F_NH2.xyzcmp
134
log
plain
-rwxr-xr-x
test_F_OH.mmp
641
log
plain
-rwxr-xr-x
test_F_OH.test
12
log
plain
-rwxr-xr-x
test_F_OH.xyzcmp
101
log
plain
-rwxr-xr-x
test_F_PH2.mmp
692
log
plain
-rwxr-xr-x
test_F_PH2.test
12
log
plain
-rwxr-xr-x
test_F_PH2.xyzcmp
135
log
plain
-rwxr-xr-x
test_F_SH.mmp
648
log
plain
-rwxr-xr-x
test_F_SH.test
12
log
plain
-rwxr-xr-x
test_F_SH.xyzcmp
101
log
plain
-rwxr-xr-x
test_F_SiH3.mmp
743
log
plain
-rwxr-xr-x
test_F_SiH3.test
12
log
plain
-rwxr-xr-x
test_F_SiH3.xyzcmp
166
log
plain
-rwxr-xr-x
test_H2Al_AlH2.mmp
800
log
plain
-rwxr-xr-x
test_H2Al_AlH2.test
12
log
plain
-rwxr-xr-x
test_H2Al_AlH2.xyzcmp
197
log
plain
-rwxr-xr-x
test_H2Al_CH3.mmp
829
log
plain
-rwxr-xr-x
test_H2Al_CH3.test
12
log
plain
-rwxr-xr-x
test_H2Al_CH3.xyzcmp
228
log
plain
-rwxr-xr-x
test_H2Al_SiH3.mmp
837
log
plain
-rwxr-xr-x
test_H2Al_SiH3.test
12
log
plain
-rwxr-xr-x
test_H2Al_SiH3.xyzcmp
230
log
plain
-rwxr-xr-x
test_H2B_AlH2.mmp
793
log
plain
-rwxr-xr-x
test_H2B_AlH2.test
12
log
plain
-rwxr-xr-x
test_H2B_AlH2.xyzcmp
195
log
plain
-rwxr-xr-x
test_H2B_BH2.mmp
785
log
plain
-rwxr-xr-x
test_H2B_BH2.test
12
log
plain
-rwxr-xr-x
test_H2B_BH2.xyzcmp
193
log
plain
-rwxr-xr-x
test_H2B_CH3.mmp
825
log
plain
-rwxr-xr-x
test_H2B_CH3.test
12
log
plain
-rwxr-xr-x
test_H2B_CH3.xyzcmp
225
log
plain
-rwxr-xr-x
test_H2B_NH2.mmp
775
log
plain
-rwxr-xr-x
test_H2B_NH2.test
12
log
plain
-rwxr-xr-x
test_H2B_NH2.xyzcmp
196
log
plain
-rwxr-xr-x
test_H2B_PH2.mmp
780
log
plain
-rwxr-xr-x
test_H2B_PH2.test
12
log
plain
-rwxr-xr-x
test_H2B_PH2.xyzcmp
196
log
plain
-rwxr-xr-x
test_H2B_SiH3.mmp
832
log
plain
-rwxr-xr-x
test_H2B_SiH3.test
12
log
plain
-rwxr-xr-x
test_H2B_SiH3.xyzcmp
227
log
plain
-rwxr-xr-x
test_H2N_AlH2.mmp
810
log
plain
-rwxr-xr-x
test_H2N_AlH2.test
12
log
plain
-rwxr-xr-x
test_H2N_AlH2.xyzcmp
198
log
plain
-rwxr-xr-x
test_H2N_CH3.mmp
819
log
plain
-rwxr-xr-x
test_H2N_CH3.test
12
log
plain
-rwxr-xr-x
test_H2N_CH3.xyzcmp
225
log
plain
-rwxr-xr-x
test_H2N_NH2.mmp
785
log
plain
-rwxr-xr-x
test_H2N_NH2.test
12
log
plain
-rwxr-xr-x
test_H2N_NH2.xyzcmp
196
log
plain
-rwxr-xr-x
test_H2N_PH2.mmp
782
log
plain
-rwxr-xr-x
test_H2N_PH2.test
12
log
plain
-rwxr-xr-x
test_H2N_PH2.xyzcmp
196
log
plain
-rwxr-xr-x
test_H2N_SiH3.mmp
831
log
plain
-rwxr-xr-x
test_H2N_SiH3.test
12
log
plain
-rwxr-xr-x
test_H2N_SiH3.xyzcmp
227
log
plain
-rwxr-xr-x
test_H2P_AlH2.mmp
791
log
plain
-rwxr-xr-x
test_H2P_AlH2.test
12
log
plain
-rwxr-xr-x
test_H2P_AlH2.xyzcmp
198
log
plain
-rwxr-xr-x
test_H2P_CH3.mmp
821
log
plain
-rwxr-xr-x
test_H2P_CH3.test
12
log
plain
-rwxr-xr-x
test_H2P_CH3.xyzcmp
225
log
plain
-rwxr-xr-x
test_H2P_PH2.mmp
795
log
plain
-rwxr-xr-x
test_H2P_PH2.test
12
log
plain
-rwxr-xr-x
test_H2P_PH2.xyzcmp
196
log
plain
-rwxr-xr-x
test_H2P_SiH3.mmp
831
log
plain
-rwxr-xr-x
test_H2P_SiH3.test
12
log
plain
-rwxr-xr-x
test_H2P_SiH3.xyzcmp
227
log
plain
-rwxr-xr-x
test_H3C_CH3.mmp
870
log
plain
-rwxr-xr-x
test_H3C_CH3.test
12
log
plain
-rwxr-xr-x
test_H3C_CH3.xyzcmp
255
log
plain
-rwxr-xr-x
test_H3C_SiH3.mmp
877
log
plain
-rwxr-xr-x
test_H3C_SiH3.test
12
log
plain
-rwxr-xr-x
test_H3C_SiH3.xyzcmp
257
log
plain
-rwxr-xr-x
test_H3Si_SiH3.mmp
886
log
plain
-rwxr-xr-x
test_H3Si_SiH3.test
12
log
plain
-rwxr-xr-x
test_H3Si_SiH3.xyzcmp
259
log
plain
-rwxr-xr-x
test_HO_AlH2.mmp
766
log
plain
-rwxr-xr-x
test_HO_AlH2.test
12
log
plain
-rwxr-xr-x
test_HO_AlH2.xyzcmp
164
log
plain
-rwxr-xr-x
test_HO_BH2.mmp
734
log
plain
-rwxr-xr-x
test_HO_BH2.test
12
log
plain
-rwxr-xr-x
test_HO_BH2.xyzcmp
162
log
plain
-rwxr-xr-x
test_HO_CH3.mmp
781
log
plain
-rwxr-xr-x
test_HO_CH3.test
12
log
plain
-rwxr-xr-x
test_HO_CH3.xyzcmp
196
log
plain
-rwxr-xr-x
test_HO_NH2.mmp
738
log
plain
-rwxr-xr-x
test_HO_NH2.test
12
log
plain
-rwxr-xr-x
test_HO_NH2.xyzcmp
165
log
plain
-rwxr-xr-x
test_HO_OH.mmp
695
log
plain
-rwxr-xr-x
test_HO_OH.test
12
log
plain
-rwxr-xr-x
test_HO_OH.xyzcmp
132
log
plain
-rwxr-xr-x
test_HO_PH2.mmp
738
log
plain
-rwxr-xr-x
test_HO_PH2.test
12
log
plain
-rwxr-xr-x
test_HO_PH2.xyzcmp
165
log
plain
-rwxr-xr-x
test_HO_SiH3.mmp
785
log
plain
-rwxr-xr-x
test_HO_SiH3.test
12
log
plain
-rwxr-xr-x
test_HO_SiH3.xyzcmp
197
log
plain
-rwxr-xr-x
test_HS_AlH2.mmp
741
log
plain
-rwxr-xr-x
test_HS_AlH2.test
12
log
plain
-rwxr-xr-x
test_HS_AlH2.xyzcmp
164
log
plain
-rwxr-xr-x
test_HS_BH2.mmp
741
log
plain
-rwxr-xr-x
test_HS_BH2.test
12
log
plain
-rwxr-xr-x
test_HS_BH2.xyzcmp
162
log
plain
-rwxr-xr-x
test_HS_CH3.mmp
780
log
plain
-rwxr-xr-x
test_HS_CH3.test
12
log
plain
-rwxr-xr-x
test_HS_CH3.xyzcmp
196
log
plain
-rwxr-xr-x
test_HS_NH2.mmp
738
log
plain
-rwxr-xr-x
test_HS_NH2.test
12
log
plain
-rwxr-xr-x
test_HS_NH2.xyzcmp
165
log
plain
-rwxr-xr-x
test_HS_OH.mmp
693
log
plain
-rwxr-xr-x
test_HS_OH.test
12
log
plain
-rwxr-xr-x
test_HS_OH.xyzcmp
132
log
plain
-rwxr-xr-x
test_HS_PH2.mmp
743
log
plain
-rwxr-xr-x
test_HS_PH2.test
12
log
plain
-rwxr-xr-x
test_HS_PH2.xyzcmp
165
log
plain
-rwxr-xr-x
test_HS_SH.mmp
699
log
plain
-rwxr-xr-x
test_HS_SH.test
12
log
plain
-rwxr-xr-x
test_HS_SH.xyzcmp
132
log
plain
-rwxr-xr-x
test_HS_SiH3.mmp
788
log
plain
-rwxr-xr-x
test_HS_SiH3.test
12
log
plain
-rwxr-xr-x
test_HS_SiH3.xyzcmp
198
log
plain
-rwxr-xr-x
test_H_AlH2.mmp
690
log
plain
-rwxr-xr-x
test_H_AlH2.test
12
log
plain
-rwxr-xr-x
test_H_AlH2.xyzcmp
133
log
plain
-rwxr-xr-x
test_H_BH2.mmp
687
log
plain
-rwxr-xr-x
test_H_BH2.test
12
log
plain
-rwxr-xr-x
test_H_BH2.xyzcmp
131
log
plain
-rwxr-xr-x
test_H_CH3.mmp
735
log
plain
-rwxr-xr-x
test_H_CH3.test
12
log
plain
-rwxr-xr-x
test_H_CH3.xyzcmp
163
log
plain
-rwxr-xr-x
test_H_Cl.mmp
610
log
plain
-rwxr-xr-x
test_H_Cl.test
12
log
plain
-rwxr-xr-x
test_H_Cl.xyzcmp
71
log
plain
-rwxr-xr-x
test_H_F.mmp
601
log
plain
-rwxr-xr-x
test_H_F.test
12
log
plain
-rwxr-xr-x
test_H_F.xyzcmp
69
log
plain
-rwxr-xr-x
test_H_H.mmp
593
log
plain
-rwxr-xr-x
test_H_H.test
12
log
plain
-rwxr-xr-x
test_H_H.xyzcmp
69
log
plain
-rwxr-xr-x
test_H_NH2.mmp
687
log
plain
-rwxr-xr-x
test_H_NH2.test
12
log
plain
-rwxr-xr-x
test_H_NH2.xyzcmp
132
log
plain
-rwxr-xr-x
test_H_OH.mmp
641
log
plain
-rwxr-xr-x
test_H_OH.test
12
log
plain
-rwxr-xr-x
test_H_OH.xyzcmp
101
log
plain
-rwxr-xr-x
test_H_PH2.mmp
691
log
plain
-rwxr-xr-x
test_H_PH2.test
12
log
plain
-rwxr-xr-x
test_H_PH2.xyzcmp
131
log
plain
-rwxr-xr-x
test_H_SH.mmp
645
log
plain
-rwxr-xr-x
test_H_SH.test
12
log
plain
-rwxr-xr-x
test_H_SH.xyzcmp
101
log
plain
-rwxr-xr-x
test_H_SiH3.mmp
741
log
plain
-rwxr-xr-x
test_H_SiH3.test
12
log
plain
-rwxr-xr-x
test_H_SiH3.xyzcmp
165
log
plain