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Candidate_v1.6.1

Last change on this file 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: 4.2 KB

Rev	Line
[a8ae6d]	1	3
	2	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 0
	3	O 0 0 0
	4	H 0.759 0 0.504
	5	H 0.759 0 -0.504
	6
	7	3
	8	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 1
	9	O 0 0 0
	10	H 0.759 0.088 0.496
	11	H 0.759 -0.088 -0.496
	12
	13	3
	14	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 2
	15	O 0 0 0
	16	H 0.759 0.173 0.473
	17	H 0.759 -0.173 -0.473
	18
	19	3
	20	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 3
	21	O 0 0 0
	22	H 0.759 0.253 0.436
	23	H 0.759 -0.253 -0.436
	24
	25	3
	26	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 4
	27	O 0 0 0
	28	H 0.759 0.325 0.385
	29	H 0.759 -0.325 -0.385
	30
	31	3
	32	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 5
	33	O 0 0 0
	34	H 0.759 0.387 0.323
	35	H 0.759 -0.387 -0.323
	36
	37	3
	38	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 6
	39	O 0 0 0
	40	H 0.759 0.437 0.251
	41	H 0.759 -0.437 -0.251
	42
	43	3
	44	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 7
	45	O 0 0 0
	46	H 0.759 0.474 0.171
	47	H 0.759 -0.474 -0.171
	48
	49	3
	50	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 8
	51	O 0 0 0
	52	H 0.759 0.496 0.086
	53	H 0.759 -0.496 -0.086
	54
	55	3
	56	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 9
	57	O 0 0 0
	58	H 0.759 0.503 -0.001
	59	H 0.759 -0.503 0.001
	60
	61	3
	62	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 10
	63	O 0 0 0
	64	H 0.759 0.495 -0.088
	65	H 0.759 -0.495 0.088
	66
	67	3
	68	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 11
	69	O 0 0 0
	70	H 0.759 0.472 -0.173
	71	H 0.759 -0.472 0.173
	72
	73	3
	74	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 12
	75	O 0 0 0
	76	H 0.759 0.435 -0.252
	77	H 0.759 -0.435 0.252
	78
	79	3
	80	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 13
	81	O 0 0 0
	82	H 0.759 0.385 -0.324
	83	H 0.759 -0.385 0.324
	84
	85	3
	86	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 14
	87	O 0 0 0
	88	H 0.759 0.323 -0.386
	89	H 0.759 -0.323 0.386
	90
	91	3
	92	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 15
	93	O 0 0 0
	94	H 0.759 0.251 -0.436
	95	H 0.759 -0.251 0.436
	96
	97	3
	98	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 16
	99	O 0 0 0
	100	H 0.759 0.171 -0.473
	101	H 0.759 -0.171 0.473
	102
	103	3
	104	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 17
	105	O 0 0 0
	106	H 0.759 0.086 -0.496
	107	H 0.759 -0.086 0.496
	108
	109	3
	110	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 18
	111	O 0 0 0
	112	H 0.759 -0.001 -0.503
	113	H 0.759 0.001 0.503
	114
	115	3
	116	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 19
	117	O 0 0 0
	118	H 0.759 -0.088 -0.495
	119	H 0.759 0.088 0.495
	120
	121	3
	122	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 20
	123	O 0 0 0
	124	H 0.759 -0.173 -0.472
	125	H 0.759 0.173 0.472
	126
	127	3
	128	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 21
	129	O 0 0 0
	130	H 0.759 -0.252 -0.435
	131	H 0.759 0.252 0.435
	132
	133	3
	134	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 22
	135	O 0 0 0
	136	H 0.759 -0.324 -0.385
	137	H 0.759 0.324 0.385
	138
	139	3
	140	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 23
	141	O 0 0 0
	142	H 0.759 -0.386 -0.323
	143	H 0.759 0.386 0.323
	144
	145	3
	146	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 24
	147	O 0 0 0
	148	H 0.759 -0.436 -0.251
	149	H 0.759 0.436 0.251
	150
	151	3
	152	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 25
	153	O 0 0 0
	154	H 0.759 -0.473 -0.171
	155	H 0.759 0.473 0.171
	156
	157	3
	158	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 26
	159	O 0 0 0
	160	H 0.759 -0.496 -0.086
	161	H 0.759 0.496 0.086
	162
	163	3
	164	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 27
	165	O 0 0 0
	166	H 0.759 -0.503 0.001
	167	H 0.759 0.503 -0.001
	168
	169	3
	170	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 28
	171	O 0 0 0
	172	H 0.759 -0.495 0.088
	173	H 0.759 0.495 -0.088
	174
	175	3
	176	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 29
	177	O 0 0 0
	178	H 0.759 -0.472 0.173
	179	H 0.759 0.472 -0.173
	180
	181	3
	182	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 30
	183	O 0 0 0
	184	H 0.759 -0.435 0.252
	185	H 0.759 0.435 -0.252
	186
	187	3
	188	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 31
	189	O 0 0 0
	190	H 0.759 -0.385 0.324
	191	H 0.759 0.385 -0.324
	192
	193	3
	194	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 32
	195	O 0 0 0
	196	H 0.759 -0.323 0.386
	197	H 0.759 0.323 -0.386
	198
	199	3
	200	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 33
	201	O 0 0 0
	202	H 0.759 -0.251 0.436
	203	H 0.759 0.251 -0.436
	204
	205	3
	206	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 34
	207	O 0 0 0
	208	H 0.759 -0.171 0.473
	209	H 0.759 0.171 -0.473
	210
	211	3
	212	Created by molecuilder on Fri Feb 18 22:39:51 2011, time step 35
	213	O 0 0 0
	214	H 0.759 -0.086 0.496
	215	H 0.759 0.086 -0.496

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