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[热点] 常年博士招收(双一流，工科) tammmmm 2026-01-16 刚刚
[Gamess/ ] [已完结]q-chem可以并行hf却不能并行mp2和ccsd(t) (2/628) tiechong 2013-01-23 2013-01-25 11:43:58 by tiechong
[Gamess/ ] [已完结]求助gamess输入文件，计算激发三重态的振 子强度f！！！ (1/633) haiqin28 2013-01-01 2013-01-22 11:26:10 by haiqin28
[Gamess/ ] [已完结]在Gamess中优化结构时，如何固定二面角 (5/1122) jjf_sxnu 2012-05-03 2013-01-21 08:21:39 by ZJboy
[Gamess/ ] [已完结][关贴]第一次用Firefly PC GAMESS,不能运行 (4/1106) pizi7880 2013-01-17 2013-01-18 02:46:47 by pizi7880
[Gamess/ ] [已完结]Qchem加PCM时，运行错误 (1/1311) mojie1987 2012-12-19 2013-01-07 21:27:15 by bz07234023
[Gamess/ ] [已完结]找不到gamess输出文件 (1/523) kedaibiao30 2012-12-25 2012-12-26 09:02:02 by jianqin
[Gamess/ ] [已完结]GAMESS输出文件中的键级怎么计算？ (0/213) 素年锦时111 2012-12-23 2012-12-24 14:56:36 by 素年锦时111
[Gamess/ ] [已完结]求助，用GAMESS的GVB-PP计算F2体系的问题。 (1/644) musterants 2012-12-02 2012-12-05 23:49:25 by musterants
[Gamess/ ] [已完结]Qchem并行任务分配 (0/683) oyezzy 2012-11-30 2012-11-30 21:22:34 by oyezzy
[Gamess/ ] [已完结]GAMESS的IRC出错，计算得到的中间体不是预想的最稳定结构 (0/527) jianqin 2012-11-19 2012-11-19 09:47:32 by jianqin
[Gamess/ ] Q-chem进行频率分析 (2/594) wisdom182 2012-10-29 2012-11-03 20:30:10 by wisdom182
[Gamess/ ] [已完结]【求助】aug-cc-pvtz基组在Gamess中怎么输入，谢谢！ (1/832) vividelife 2012-10-28 2012-10-28 23:06:51 by virtualzx
[Gamess/ ] [已完结]请问编译好的GAMESS可以移植到别的类似操作系统机器上直接用吗？ (5/1320) jianqin 2012-07-09 2012-10-22 18:25:57 by 寒雨人生
[Gamess/ ] [已完结]请问如何在Gamess输入文件里修改某个原子的VDW半径 (1/727) ghcacj 2011-06-07 2012-10-11 05:51:00 by dixonsion
[Gamess/ ] [已完结]急求帮助    ( 1 2 ) (10/834) rhsjxs 2012-08-26 2012-09-25 18:10:46 by wzh上善若水
[Gamess/ ] [已完结]Gamess提交作业的命令 (2/979) slay3 2012-02-26 2012-09-23 19:17:43 by rhsjxs
[Gamess/ ] [已完结][关贴]GAMESS的频率计算中断后如何继续算？ (1/521) jianqin 2012-09-19 2012-09-19 20:09:35 by 肖潇
[Gamess/ ] [已完结]gamess计算casscf输入文件模版，重金！ (0/686) vividelife 2012-09-02 2012-09-02 20:54:25 by vividelife
[Gamess/ ] [已完结]GAMESS算MP2内存需要多大，如何设置？ (1/644) auybv 2012-06-02 2012-07-16 00:26:44 by liuhuisfp
[Gamess/ ] [已完结]GAMESS中加入diffuse function产生的输入错误 (2/561) Nibelungen 2012-07-15 2012-07-15 20:00:35 by liuhuisfp
[Gamess/ ] [已完结]Gamess把/tmp区写满，该怎么处理 (3/979) youji 2012-05-04 2012-07-15 17:10:06 by liuhuisfp
[Gamess/ ] [已完结]Gamess 能量分解的输入文件 (2/1643) slay3 2012-02-25 2012-07-15 16:41:17 by liuhuisfp
[Gamess/ ] [已完结]可以进行qmmm-pcm计算的软件？？ (3/1043) astringent 2012-07-12 2012-07-15 03:29:45 by astringent
[Gamess/ ] [已完结]用GAMESS进行QM/MM运算时报错 (0/413) Nibelungen 2012-06-12 2012-06-14 09:28:54 by Nibelungen
[Gamess/ ] GAMESS 收敛失败 (6/982) xiaowu787 2011-11-29 2012-06-09 17:23:24 by Nibelungen
[Gamess/ ] [已完结]分子轨道数 和 本征值数目 的关系 (3/901) fwang2011 2012-03-04 2012-05-17 21:57:10 by fwang2011
[Gamess/ ] 【讨论】gamess能量分解！ (6/1435) vividelife 2010-06-28 2012-05-05 10:23:43 by chrinide
[Gamess/ ] [已完结]gamess 能量分解，读取gaussian初始猜测 (6/1718) mjjwhs 2012-03-04 2012-05-02 00:30:44 by beefly
[Gamess/ ] NBO5 gamess 2011 R1上的编译 (评阅+2) (2/1173) 寒雨人生 2011-12-24 2012-05-01 17:33:34 by yjr
[Gamess/ ] [已完结]Qchem 优化时程序终止 (0/489) hongpuaiwa 2012-04-26 2012-04-26 12:44:41 by hongpuaiwa
[Gamess/ ] [已完结]在GAMESS下如何使用TZVPP基组 (1/1026) jjf_sxnu 2012-04-21 2012-04-23 14:36:46 by chrinide
[Gamess/ ] [已完结]高斯软件 (1/483) xihuanhuan 2012-03-08 2012-04-17 16:44:18 by 半截烟洋洋
[Gamess/ ] [已完结]Gamess 双电子积分出错 (0/660) zhongrl898 2012-04-12 2012-04-12 15:05:00 by zhongrl898
[Gamess/ ] [关贴]高斯极化率读取 (7/1609) xpzhang1988 2012-04-09 2012-04-10 09:23:43 by ewuyanfei
[Gamess/ ] [已完结]THE INPUT BASIS SET CONTAINS APPROXIMATE LINEAR DEPENDENCE. (4/1403) qishiyy 2012-04-01 2012-04-05 16:21:44 by qishiyy
[Gamess/ ] [已完结]WinGamess输入文件编写出错 (2/558) houxiufang1 2012-03-03 2012-03-04 10:29:38 by houxiufang1
[Gamess/ ] [已完结]用M06-2X 做能量分解如何写命令 (0/819) slay3 2012-02-29 2012-02-29 00:25:17 by slay3
[Gamess/ ] cclib 处理大于100个原子的系统 (GAMESS, parser) (0/419) fwang2011 2012-02-22 2012-02-22 00:35:10 by fwang2011
[Gamess/ ] [已完结]有熟悉cclib method的吗 (0/369) fwang2011 2011-12-28 2012-01-25 18:56:31 by fwang2011
[Gamess/ ] [已完结]NBO 5.0 on Gamess 2011编译出现的问题…… (6/848) 寒雨人生 2011-12-18 2011-12-22 11:50:10 by 寒雨人生
[Gamess/ ] [已完结]量化文献报告求助 (3/1169) echo8976 2011-12-18 2011-12-18 16:08:28 by echo8976
[Gamess/ ] [已完结]提取HESSIAN计算后的结果(GAMESS_US) (1/532) fwang2011 2011-12-16 2011-12-17 02:41:15 by fwang2011
[Gamess/ ] [已完结]谁用GAMESS做过cutoff？跪求。 (1/417) kathy2008 2011-10-20 2011-12-15 19:59:46 by sdsp
[Gamess/ ] [已完结]GAMESS编译 (9/1223) 寒雨人生 2011-12-09 2011-12-12 12:50:03 by abdoman
[Gamess/ ] 【求助】Gamess 下如何部分优化 (4/849) kathy2008 2011-02-14 2011-12-03 02:31:49 by fwang2011
[Gamess/ ] [已完结][关贴]用高斯计算NO2，N2O4,N2O5的稳定性 (0/659) etin 2011-12-01 2011-12-01 23:00:06 by etin
[Gamess/ ] [已完结]GAMESS: ERROR! THERE ARE NOT 5 OR 6 TRANS/ROT MODES (6/1525) fwang2011 2011-11-22 2011-11-23 13:22:52 by fwang2011
[Gamess/ ] [已完结]问个新手问题 gaussian计算后怎么看LUMO 和HOMO的能量 (1/1151) luojin7653 2011-11-18 2011-11-18 14:30:25 by hlma_ustc
[Gamess/ ] Gamess关键字设置 (9/1101) lyy880530 2011-11-05 2011-11-07 10:49:00 by xiao@chen
[Gamess/ ] [已完结]ECP的占有轨道数应该怎么设置 (0/383) lyy880530 2011-11-07 2011-11-07 09:19:37 by lyy880530
[Gamess/ ] [已完结][关贴]Gamess计算问题 (1/645) 不喜欢豆芽 2011-10-27 2011-11-03 10:08:56 by 不喜欢豆芽
[Gamess/ ] [已完结]gamess的pbs脚本！ (6/1479) vividelife 2011-10-27 2011-11-02 21:23:18 by xiaowu787
[Gamess/ ] 【分享】全球/北美最全面和有用的Gamess论坛    ( 1 2 ) (评阅+5) (14/1507) seainthesky 2010-07-08 2011-11-02 00:08:36 by lics19870210
[Gamess/ ] 【讨论】GAMESS 的并行挺有意思的    ( 1 2 ) (评阅+2) (11/1990) snoopyzhao 2010-06-16 2011-10-28 09:21:07 by snoopyzhao
[Gamess/ ] 【求助】winGAMESS运行错误，请教大家 (5/1201) dukelr 2010-07-27 2011-10-27 20:43:20 by 不喜欢豆芽
[Gamess/ ] [已完结]请教：算C101H204S2的优化结构，该用什么BASIS (0/245) fwang2011 2011-10-22 2011-10-22 11:20:22 by fwang2011
[Gamess/ ] Gamess-US 究竟有多大？ (2/620) 寒雨人生 2011-09-30 2011-09-30 22:46:23 by 寒雨人生
[Gamess/ ] [已完结][关贴]我刚刚安装了Gamess for 32-bit for windows，出了点问题，求助…… (0/602) 寒雨人生 2011-09-30 2011-09-30 21:57:13 by 寒雨人生
[Gamess/ ] [已完结]关于vec的输入 (2/1475) 172304 2011-09-28 2011-09-29 08:14:19 by 172304
[Gamess/ ] [已完结]GAMESS 怎样加周期性边界条件 (2/374) xxh418 2011-09-28 2011-09-29 06:49:42 by xxh418
[Gamess/ ] [已完结]how to prepare the long chain input & how to get the optimized structure (1/404) fwang2011 2011-09-21 2011-09-27 16:12:51 by lennylv
[Gamess/ ] [已完结]结构优化求教 (0/277) 172304 2011-09-27 2011-09-27 10:33:26 by 172304
[Gamess/ ] [已完结]gamess 计算出错求教 (3/502) 172304 2011-09-23 2011-09-26 15:52:03 by 172304
[Gamess/ ] [已完结]gamess 计算中止，什么原因？ (5/794) 172304 2011-09-19 2011-09-20 19:50:28 by 172304
[Gamess/ ] [已完结]scf不收敛，怎么办 (0/1244) 172304 2011-09-20 2011-09-20 15:03:12 by 172304
[Gamess/ ] [已完结]Gamess新手：我的输入怎么了？ (4/736) fwang2011 2011-09-14 2011-09-17 12:42:51 by snoopyzhao
[Gamess/ ] [已完结]GAMESS 计算SOC 系数问题 (4/1115) wcszbd2008 2011-09-08 2011-09-11 16:55:46 by wyzpvi
[Gamess/ ] [已完结]关于GAMESS中QMTTOL参数的设置问题 (0/839) jianqin 2011-09-08 2011-09-08 17:06:02 by jianqin
[Gamess/ ] 【求助】 GAMESS 里log文件里描述原子轨道AG，B1G，B2G，B3G，B1U等等是什么意思啊？ (9/3137) ywfsxh 2011-01-27 2011-09-05 08:47:55 by ccyb
[Gamess/ ] [已完结]virtual orbital in GVB of GAMESS (0/303) ywfsxh 2011-09-01 2011-09-01 20:59:15 by ywfsxh
[Gamess/ ] [已完结]这个L是什么意思（output of Gamess）,新手求助 (2/443) fwang2011 2011-08-11 2011-08-12 03:48:33 by fwang2011
[Gamess/ ] [已完结]GAMESS输入文件求助 (8/2081) akikucoco 2011-06-25 2011-06-30 21:55:31 by beefly
[Gamess/ ] [已完结]fragment molecilar orbital method 问题 (0/402) YJY1234 2011-06-22 2011-06-25 16:19:46 by YJY1234
[Gamess/ ] [已完结]gamess_运行unset echo怎么解决 (2/675) xiaowu787 2011-06-19 2011-06-19 21:33:33 by xiaowu787
[Gamess/ ] [已完结]fragment molecilar orbital method 方法 (6/1568) YJY1234 2011-06-11 2011-06-16 14:43:44 by toyidi
[Gamess/ ] 请教如何继续中断的gamess计算 (5/1133) zbb9356 2011-05-06 2011-05-17 01:14:27 by galaxyqtm
[Gamess/ ] [已完结]Gamess-NEDA结果求助... (7/1615) 亍寞 2011-05-12 2011-05-15 14:30:20 by 亍寞
[Gamess/ ] [已完结]求助：QChem软件咨询 (1/1353) lihb734 2011-05-06 2011-05-06 22:42:35 by richen0564
[Gamess/ ] CC理论的解析梯度早就有了，为什么GAMESS还没有加进去？ (2/784) coolrainbow 2011-05-04 2011-05-04 22:33:48 by chrinide
[Gamess/ ] [已完结]什么是 TM elements， valence DZ quality contraction， (0/421) ywfsxh 2011-05-01 2011-05-01 22:12:13 by ywfsxh
[Gamess/ ] 【求助】Gamess 如何给原子加上其他轨道的Gaussians？ (5/740) ywfsxh 2011-02-18 2011-05-01 17:32:11 by ywfsxh
[Gamess/ ] 【求助】Gamess 安装报错？ (5/1654) ywfsxh 2011-01-23 2011-04-29 14:50:52 by xianxianlu
[Gamess/ ] [已完结]Gamess-NEDA求助... (2/726) 亍寞 2011-04-28 2011-04-28 22:52:13 by 亍寞
[Gamess/ ] [已完结]初学gamess，请教一些关于MCSCF计算的问题 (6/1380) wuy069 2011-04-27 2011-04-28 19:54:36 by wuy069
[Gamess/ ] Activation Strain模型 (0/304) weixiguang 2011-04-27 2011-04-27 14:39:18 by weixiguang
[Gamess/ ] 【求助】gamess中如何做限定电荷 (12/1561) zbb9356 2011-04-14 2011-04-19 17:36:38 by yflchx
[Gamess/ ] 【求助】GAMESS: spin contamination in ORMAS and segmentation fault (12/2059) ywfsxh 2011-03-13 2011-04-18 22:14:58 by beefly
[Gamess/ ] 【求助】初学GAMESS 一些问题请教？ (2/548) 3867826 2011-03-28 2011-04-18 15:40:10 by dfjk-123
[Gamess/ ] 【求助】求gamess 输入使用赝势基组与分裂基组的例子 (6/2221) li_hx2001 2009-08-22 2011-04-18 15:12:11 by dfjk-123
[Gamess/ ] 【求助】gamess 中6-311++G**怎么输入 (9/2942) gs树 2010-10-22 2011-04-18 15:11:02 by dfjk-123
[Gamess/ ] 【求助】CI-SDT wavefunction, SDT是什么的简写 啊》 (4/994) ywfsxh 2011-04-05 2011-04-11 19:29:57 by ywfsxh
[Gamess/ ] 【求助】SOC计算    ( 1 2 ) (11/3281) 3867826 2010-01-14 2011-04-10 14:29:28 by coolrainbow
[Gamess/ ] 【求助】如何将GAMESS计算的分子轨道导出，进一步进行其他计算？ (6/1008) ywfsxh 2011-04-06 2011-04-07 10:20:15 by yflchx
[Gamess/ ] 【讨论】如何确定氧气分子各个态的自旋，和对称性？ (5/1103) ywfsxh 2011-03-30 2011-03-30 22:56:56 by ywfsxh
[Gamess/ ] 【求助】谁有gamess 中文版使用说明 (4/1819) kathy2008 2010-12-07 2011-03-21 14:23:21 by heyo_123
[Gamess/ ] 【求助】求助纳米材料对于有机小分子的催化进行量子化学计算 (0/400) wanyi207 2011-03-21 2011-03-21 11:34:54 by wanyi207
[Gamess/ ] 【求助】CI-SDT wavefunction, SDT是什么的简写 啊》 (2/356) ywfsxh 2011-02-22 2011-02-28 23:34:51 by ywfsxh
[Gamess/ ] 【求助】GAMESS激发态如何averaged state density？ (1/413) ywfsxh 2011-02-16 2011-02-17 02:49:29 by ywfsxh
[Gamess/ ] 【求助】重新安排轨道，不起作用 $guess norder iorder (4/523) ywfsxh 2011-02-16 2011-02-17 01:03:35 by beefly
[Gamess/ ] 【求助】PC-Gamess 多核运算 (1/635) sizj 2011-02-16 2011-02-17 00:05:45 by galaxyqtm
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