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Last change on this file since a19b4f was a8ae6d, checked in by Frederik Heber <heber@…>, 13 years ago

TESTFIX: Separated regression test Analysis/DipoleAngularCorrelation.

now parts explicitly tests whether periodic boundaries are working correctly while the other has molecules entirely within its domain and boundary conditions are of no importance.

Property mode set to 100644

File size: 4.1 KB

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1	3
2	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 0
3	O 5 5 5
4	H 5.759 5 5.504
5	H 5.759 5 4.496
6
7	3
8	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 1
9	O 5.005 5 4.971
10	H 5.546 5 5.704
11	H 5.89 5 4.757
12
13	3
14	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 2
15	O 5.011 5 4.958
16	H 5.417 5 5.773
17	H 5.92 5 4.901
18
19	3
20	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 3
21	O 5.019 5 4.946
22	H 5.278 5 5.819
23	H 5.925 5 5.048
24
25	3
26	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 4
27	O 5.029 5 4.936
28	H 5.133 5 5.84
29	H 5.904 5 5.193
30
31	3
32	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 5
33	O 5.041 5 4.927
34	H 4.987 5 5.836
35	H 5.858 5 5.333
36
37	3
38	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 6
39	O 5.054 5 4.921
40	H 4.843 5 5.807
41	H 5.789 5 5.462
42
43	3
44	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 7
45	O 5.068 5 4.917
46	H 4.707 5 5.753
47	H 5.698 5 5.578
48
49	3
50	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 8
51	O 5.083 5 4.916
52	H 4.582 5 5.676
53	H 5.588 5 5.676
54
55	3
56	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 9
57	O 5.098 5 4.917
58	H 4.472 5 5.579
59	H 5.463 5 5.753
60
61	3
62	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 10
63	O 5.112 5 4.921
64	H 4.381 5 5.464
65	H 5.327 5 5.807
66
67	3
68	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 11
69	O 5.125 5 4.927
70	H 4.311 5 5.335
71	H 5.183 5 5.837
72
73	3
74	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 12
75	O 5.137 5 4.935
76	H 4.265 5 5.196
77	H 5.036 5 5.842
78
79	3
80	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 13
81	O 5.148 5 4.945
82	H 4.243 5 5.051
83	H 4.891 5 5.821
84
85	3
86	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 14
87	O 5.157 5 4.957
88	H 4.247 5 4.904
89	H 4.751 5 5.775
90
91	3
92	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 15
93	O 5.163 5 4.97
94	H 4.276 5 4.76
95	H 4.621 5 5.706
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97	3
98	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 16
99	O 5.167 5 4.984
100	H 4.33 5 4.623
101	H 4.505 5 5.615
102
103	3
104	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 17
105	O 5.168 5 4.999
106	H 4.407 5 4.498
107	H 4.407 5 5.505
108
109	3
110	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 18
111	O 5.167 5 5.014
112	H 4.504 5 4.388
113	H 4.329 5 5.38
114
115	3
116	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 19
117	O 5.163 5 5.028
118	H 4.619 5 4.297
119	H 4.274 5 5.243
120
121	3
122	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 20
123	O 5.157 5 5.041
124	H 4.748 5 4.227
125	H 4.244 5 5.099
126
127	3
128	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 21
129	O 5.149 5 5.053
130	H 4.887 5 4.181
131	H 4.239 5 4.952
132
133	3
134	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 22
135	O 5.139 5 5.064
136	H 5.032 5 4.159
137	H 4.26 5 4.806
138
139	3
140	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 23
141	O 5.127 5 5.073
142	H 5.179 5 4.163
143	H 4.306 5 4.666
144
145	3
146	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 24
147	O 5.114 5 5.079
148	H 5.323 5 4.192
149	H 4.376 5 4.536
150
151	3
152	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 25
153	O 5.1 5 5.083
154	H 5.46 5 4.246
155	H 4.467 5 4.42
156
157	3
158	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 26
159	O 5.085 5 5.084
160	H 5.585 5 4.323
161	H 4.577 5 4.322
162
163	3
164	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 27
165	O 5.07 5 5.083
166	H 5.695 5 4.42
167	H 4.702 5 4.244
168
169	3
170	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 28
171	O 5.056 5 5.079
172	H 5.786 5 4.535
173	H 4.839 5 4.189
174
175	3
176	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 29
177	O 5.043 5 5.073
178	H 5.856 5 4.664
179	H 4.983 5 4.159
180
181	3
182	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 30
183	O 5.031 5 5.065
184	H 5.902 5 4.803
185	H 5.13 5 4.154
186
187	3
188	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 31
189	O 5.02 5 5.055
190	H 5.924 5 4.948
191	H 5.276 5 4.175
192
193	3
194	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 32
195	O 5.011 5 5.043
196	H 5.92 5 5.094
197	H 5.416 5 4.221
198
199	3
200	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 33
201	O 5.005 5 5.03
202	H 5.891 5 5.238
203	H 5.546 5 4.29
204
205	3
206	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 34
207	O 5.001 5 5.016
208	H 5.837 5 5.374
209	H 5.662 5 4.381
210
211	3
212	Created by molecuilder on Mon Jan 9 18:21:30 2012, time step 35
213	O 5 5 5.001
214	H 5.761 5 5.499
215	H 5.761 5 4.491

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