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北京石油化工学院2026年研究生招生接收调剂公告
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金仙逆

铜虫 (著名写手)

[求助] 求助大神晶体错误PLAT701_ALERT_1_A 已有1人参与

求助各位大神,晶体check 错误怎么解决?很着急,再次拜谢大家了
PLAT701_ALERT_1_A Bond Calc 1.52(3), Rep 1.39(2), Dev.. 4.33 Sigma
C26A -C80A 1.555 1.555 ........ # 77 Check
PLAT701_ALERT_1_A Bond Calc 1.447(16), Rep 1.505(14), Dev.. 3.62 Sigma
C31A -C37B 1.555 1.555 ........ # 88 Check
PLAT701_ALERT_1_A Bond Calc 1.423(19), Rep 1.501(18), Dev.. 4.11 Sigma
C78A -C80A 1.555 1.555 ........ # 160 Check
PLAT701_ALERT_1_A Bond Calc 1.45(2), Rep 1.37(2), Dev.. 4.00 Sigma
C34B -C36B 1.555 1.555 ........ # 224 Check
PLAT701_ALERT_1_A Bond Calc 1.41(2), Rep 1.518(19), Dev.. 5.40 Sigma
C34B -C37B 1.555 1.555 ........ # 225 Check
PLAT701_ALERT_1_A Bond Calc 1.474(18), Rep 1.385(16), Dev.. 4.94 Sigma
C35B -C37B 1.555 1.555 ........ # 226 Check
PLAT702_ALERT_1_A Angle Calc 109.2(13), Rep 104.6(10), Dev.. 3.54 Sigma
C64A -C78A -C80A 1.555 1.555 1.555 # 239 Check
PLAT702_ALERT_1_A Angle Calc 114.5(13), Rep 122.2(13), Dev.. 5.92 Sigma
C26A -C80A -C82A 1.555 1.555 1.555 # 246 Check
PLAT702_ALERT_1_A Angle Calc 120.2(15), Rep 113.7(12), Dev.. 4.33 Sigma
C82A -C80A -C78A 1.555 1.555 1.555 # 247 Check
PLAT702_ALERT_1_A Angle Calc 118.4(13), Rep 122.7(12), Dev.. 3.31 Sigma
C80A -C82A -C11A 1.555 1.555 1.555 # 251 Check
PLAT702_ALERT_1_A Angle Calc 123.5(15), Rep 117.7(12), Dev.. 3.87 Sigma
C80A -C82A -C07B 1.555 1.555 1.555 # 252 Check
PLAT702_ALERT_1_A Angle Calc 132.5(16), Rep 138.7(13), Dev.. 3.87 Sigma
C36B -C34B -C27B 1.555 1.555 1.555 # 400 Check
PLAT702_ALERT_1_A Angle Calc 116.4(15), Rep 110.7(13), Dev.. 3.80 Sigma
C36B -C34B -C37B 1.555 1.555 1.555 # 401 Check
PLAT702_ALERT_1_A Angle Calc 112.0(12), Rep 115.9(11), Dev.. 3.25 Sigma
C35B -C37B -C34B 1.555 1.555 1.555 # 407 Check
PLAT703_ALERT_1_A Torsion Calc -173.2(12), Rep -178.2(10), Dev.. 4.17 Sigma
C01A-C35B-C37B-C31A 1.555 1.555 1.555 1.555 # 1 Check
PLAT703_ALERT_1_A Torsion Calc -11.2(18), Rep -4.3(17), Dev.. 3.83 Sigma
C01A-C35B-C37B-C34B 1.555 1.555 1.555 1.555 # 2 Check
PLAT703_ALERT_1_A Torsion Calc -147.0(15), Rep -152.7(17), Dev.. 3.80 Sigma
C21A-C27B-C34B-C36B 1.555 1.555 1.555 1.555 # 154 Check
PLAT703_ALERT_1_A Torsion Calc -35.8(17), Rep -24.5(18), Dev.. 6.65 Sigma
O02 -C31A-C37B-C35B 1.555 1.555 1.555 1.555 # 214 Check
PLAT703_ALERT_1_A Torsion Calc -137.1(15), Rep -143.6(12), Dev.. 4.33 Sigma
C64A-C78A-C80A-C82A 1.555 1.555 1.555 1.555 # 459 Check
PLAT703_ALERT_1_A Torsion Calc -162.0(11), Rep -167.2(11), Dev.. 4.73 Sigma
C70A-C21A-C27B-C34B 1.555 1.555 1.555 1.555 # 507 Check
PLAT703_ALERT_1_A Torsion Calc -9(2), Rep 0.1(19), Dev.. 4.55 Sigma
C78A-C80A-C82A-C11A 1.555 1.555 1.555 1.555 # 538 Check
PLAT703_ALERT_1_A Torsion Calc 137.2(16), Rep 143.6(12), Dev.. 4.00 Sigma
C78A-C80A-C82A-C07B 1.555 1.555 1.555 1.555 # 539 Check
PLAT703_ALERT_1_A Torsion Calc -141.8(14), Rep -137.1(13), Dev.. 3.36 Sigma
C80A-C78A-C17B-C41A 1.555 1.555 1.555 1.555 # 549 Check
PLAT703_ALERT_1_A Torsion Calc 148.3(14), Rep 143.7(13), Dev.. 3.29 Sigma
C94A-C11A-C82A-C80A 1.555 1.555 1.555 1.555 # 617 Check
PLAT703_ALERT_1_A Torsion Calc 92.3(13), Rep 87.1(13), Dev.. 4.00 Sigma
C03B-C21A-C27B-C34B 1.555 1.555 1.555 1.555 # 655 Check
PLAT703_ALERT_1_A Torsion Calc 7(2), Rep -2.7(19), Dev.. 4.85 Sigma
C17B-C78A-C80A-C82A 1.555 1.555 1.555 1.555 # 748 Check
PLAT703_ALERT_1_A Torsion Calc -31.3(15), Rep -36.5(16), Dev.. 3.47 Sigma
C21B-C21A-C27B-C34B 1.555 1.555 1.555 1.555 # 767 Check
PLAT703_ALERT_1_A Torsion Calc -9.8(19), Rep -19.0(17), Dev.. 4.84 Sigma
C21B-C31A-C37B-C34B 1.555 1.555 1.555 1.555 # 769 Check
PLAT703_ALERT_1_A Torsion Calc 149.2(11), Rep 154.4(11), Dev.. 4.73 Sigma
C21B-C31A-C37B-C35B 1.555 1.555 1.555 1.555 # 770 Check
PLAT703_ALERT_1_A Torsion Calc -155.4(17), Rep -149.0(18), Dev.. 3.76 Sigma
C27B-C34B-C36B-C49B 1.555 1.555 1.555 1.555 # 815 Check
PLAT703_ALERT_1_A Torsion Calc -27(2), Rep -20.6(16), Dev.. 3.20 Sigma
C27B-C34B-C37B-C31A 1.555 1.555 1.555 1.555 # 816 Check
PLAT703_ALERT_1_A Torsion Calc 172.9(11), Rep 165.8(11), Dev.. 6.45 Sigma
C27B-C34B-C37B-C35B 1.555 1.555 1.555 1.555 # 817 Check
PLAT703_ALERT_1_A Torsion Calc 165.0(13), Rep 174.7(12), Dev.. 7.46 Sigma
C36B-C34B-C37B-C31A 1.555 1.555 1.555 1.555 # 843 Check
PLAT703_ALERT_1_A Torsion Calc 27.5(14), Rep 33.4(14), Dev.. 4.21 Sigma
C37B-C31A-C21B-C21A 1.555 1.555 1.555 1.555 # 845 Check
PLAT703_ALERT_1_A Torsion Calc 156.8(10), Rep 162.7(9), Dev.. 5.90 Sigma
C37B-C31A-C21B-C71A 1.555 1.555 1.555 1.555 # 846 Check
PLAT703_ALERT_1_A Torsion Calc -100.3(12), Rep -94.3(10), Dev.. 5.00 Sigma
C37B-C31A-C21B-C16B 1.555 1.555 1.555 1.555 # 847 Check
PLAT703_ALERT_1_A Torsion Calc 21(2), Rep 11(3), Dev.. 5.00 Sigma
O04 -C27B-C34B-C36B 1.555 1.555 1.555 1.555 # 879 Check@jackdeng@lich666
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ljmmarise

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9楼2018-04-21 10:46:52
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ljmmarise

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2楼2018-04-20 08:15:14
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金仙逆

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引用回帖:
2楼: Originally posted by ljmmarise at 2018-04-20 08:15:14
没有精修收敛

那要怎么解决呢,多修几轮吗

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3楼2018-04-20 08:41:22
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ljmmarise

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在cif文件中把上述键长,键角,扭角删除了即可。

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4楼2018-04-20 22:50:39
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