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[热点] A期刊撤稿 otani 2025-12-25 刚刚
[Gamess/ ] [已完结]Q-chem中范围分离参数的优化方法 (0/591) 晴晴sky 2015-01-06 2015-01-06 21:22:41 by 晴晴sky
[Gamess/ ] [已完结]gamess出错。 (1/551) wo335979123 2014-11-21 2014-11-24 09:18:37 by 枪下游魂
[Gamess/ ] [已完结]做能量分解 输入文件错误 (0/715) yex102350419 2014-10-24 2014-10-24 22:48:45 by yex102350419
[Gamess/ ] 关于Gamess和Visualize的配套使用的问题 (0/618) mytangsci 2014-10-24 2014-10-24 10:30:51 by mytangsci
[Gamess/ ] [已完结]求助一下原子与原子之间成键后，是否是所有的成键的电子在同一能级上 (0/466) snow0804 2014-10-08 2014-10-08 17:52:15 by snow0804
[Gamess/ ] [已完结]如何将GAMESS计算的分子特定轨道波函数导出？ (0/645) luosizuo 2014-09-09 2014-09-09 09:30:58 by luosizuo
[Gamess/ ] 求助gamess的hessian错误纠正 (2/458) hwp199 2014-08-06 2014-09-04 01:46:00 by hwp199
[Gamess/ ] 【讨论】请教高手几个gamess的初级问题！安装及使用等！ (2/1125) yoghurt117 2010-09-18 2014-08-22 19:47:50 by hwp199
[Gamess/ ] 【求助】国内哪个大学买了gaussian09? (评阅+1) (9/2951) zilong000 2010-08-12 2014-08-18 09:52:05 by G09QC
[Gamess/ ] [已完结]利用gamess计算EDA时显示SCF DID NOT CONVERGE (3/855) 建建爱乖乖 2014-07-18 2014-07-20 19:31:17 by 建建爱乖乖
[Gamess/ ] [已完结]硼的最稳定结构 (0/922) linbin1990 2014-07-01 2014-07-01 10:20:20 by linbin1990
[Gamess/ ] [已完结]Gamess优化的收敛限限制 (4/1081) sujialing 2014-06-26 2014-06-30 09:49:26 by QuantumChemy
[Gamess/ ] GAMESS的inp里面$VEC这块是怎么生成的？从GAMESS的输出文件里.out里读取不到么？ (5/2283) dkstatsra 2014-06-20 2014-06-24 17:19:04 by dkstatsra
[Gamess/ ] [已完结]求一个GAMESS的环境变量，linux64位的 (2/704) dkstatsra 2014-06-18 2014-06-19 13:48:20 by ccyykk33
[Gamess/ ] [已完结]NEDA结果分析 (0/560) jiephoebe 2014-06-11 2014-06-11 21:30:35 by jiephoebe
[Gamess/ ] 算吸收光谱的时候用Gamess指定跃迁会快很多吗 (1/400) 绍敏郡主 2014-06-05 2014-06-05 21:57:40 by 血性红魔
[Gamess/ ] [已完结]GAMESS安装中module load的问题 (1/983) ccyykk33 2014-04-28 2014-05-16 13:53:17 by ccyykk33
[Gamess/ ] [已完结]如何在gamess的输入里用自定义的基组？ (4/1213) ccyykk33 2014-05-14 2014-05-16 08:12:12 by ccyykk33
[Gamess/ ] [已完结][关贴]Gamess计算单点能，AVTZ基组下不收敛 (0/825) jiephoebe 2014-05-13 2014-05-13 10:26:50 by jiephoebe
[Gamess/ ] [已完结]脚本提交Gamess 作业 (7/1295) luqing6879 2014-04-21 2014-05-13 07:43:11 by snoopyzhao
[Gamess/ ] [已完结]求公式计算 (2/574) zhuzunwei 2014-05-11 2014-05-12 11:56:46 by zhuzunwei
[Gamess/ ] [已完结]gamess 使用 (3/797) zhuzunwei 2014-05-05 2014-05-06 23:44:03 by luqing6879
[Gamess/ ] [已完结]Gamess找过渡态 (0/754) luqing6879 2014-04-30 2014-04-30 12:50:15 by luqing6879
[Gamess/ ] [已完结]gamess计算容量不够，怎么调合适 (2/549) wangjiang12 2014-04-11 2014-04-27 10:12:35 by wangjiang12
[Gamess/ ] [已完结]Gamess出错求助 (5/1551) lyy880530 2011-11-04 2014-04-25 17:33:07 by jianqin
[Gamess/ ] Gamess并行运算    ( 1 2 ) (13/1795) sujialing 2014-04-23 2014-04-24 20:56:32 by 信之1973
[Gamess/ ] [已完结]单个输入选项超过80 characters (0/246) wangjiang12 2014-04-18 2014-04-18 16:15:26 by wangjiang12
[Gamess/ ] [已完结]新手求助两个问题 (3/1047) 最后的张起灵 2014-04-17 2014-04-18 09:25:36 by 最后的张起灵
[Gamess/ ] [已完结]优化总是不成功，求指导 (0/540) wangjiang12 2014-04-17 2014-04-17 16:53:44 by wangjiang12
[Gamess/ ] [已完结]用gamess算单原子能量有意义吗？ (4/1041) jiangge122 2014-04-10 2014-04-14 19:41:54 by zc311213
[Gamess/ ] [已完结]gamess中的OPTTOL (4/1101) wangjiang12 2014-04-11 2014-04-14 14:53:29 by wangjiang12
[Gamess/ ] [已完结]Single Point Energy 和 Zero Point Energy区别 (9/2573) wangjiang12 2014-04-09 2014-04-12 12:47:01 by wangjiang12
[Gamess/ ] [已完结]如何用gamess算Gibbs自由能和Enthalpy (1/699) wangjiang12 2014-04-10 2014-04-10 23:31:39 by bittersmile
[Gamess/ ] [已完结]如何从Gamess output的一些文件看计算是否收敛 (5/1296) wangjiang12 2014-04-08 2014-04-10 11:12:35 by wangjiang12
[Gamess/ ] [已完结]Gamess的DFT方法中的B3LYP有周期性这个概念吗 (2/762) jiangge122 2014-04-07 2014-04-07 21:57:59 by wangjiang12
[Gamess/ ] [已完结]Gamess如何使用类似Gaussian中Density=current关键词的功能 (0/1074) ccxcyh 2014-04-06 2014-04-06 22:40:10 by ccxcyh
[Gamess/ ] [已完结]Gamess编译问题 (4/1248) wangjiang12 2014-04-03 2014-04-04 14:53:49 by wangjiang12
[Gamess/ ] [已完结]Gamess编译测试 (0/452) jiangge122 2014-04-03 2014-04-03 21:15:04 by jiangge122
[Gamess/ ] [已完结]怎么样将gaussian中的轨道信息读入gamess！ (4/902) vividelife 2014-03-13 2014-04-03 19:41:15 by TheMatrix
[Gamess/ ] [已完结]计算Ni与苯环作用时，总是不收敛 (2/522) jiephoebe 2014-04-03 2014-04-03 14:14:54 by jiephoebe
[Gamess/ ] [已完结]gamess使用自定义赝势基组出错 (5/1543) hee_csu 2013-08-22 2014-03-29 20:06:44 by hee_csu
[Gamess/ ] Gamess优化怎么设置步长 (1/394) sujialing 2014-03-25 2014-03-25 17:17:34 by liyangsoton
[Gamess/ ] [已完结]用pbs提交gamess作业时出错 (5/1408) 伽罗佤 2013-10-21 2014-03-22 11:10:20 by vividelife
[Gamess/ ] [已完结]lanl2dz基组在gamess中怎么写啊！ (3/1181) lizhfe2003 2011-10-07 2014-03-20 12:04:43 by ljc050512
[Gamess/ ] [已完结]有熟悉Gamess-UK 或 ChemShell的吗？ (0/694) kentzhang 2014-03-19 2014-03-19 19:00:20 by kentzhang
[Gamess/ ] [已完结]gamess (2/645) zhuzunwei 2014-03-05 2014-03-05 14:58:20 by zhuzunwei
[Gamess/ ] 自己安装的Gamess under UBUNTU 13.10求助 (3/1038) zty1112 2014-01-22 2014-01-31 17:02:52 by sobereva
[Gamess/ ] [已完结]Gamess做优化时出错，望诸位大侠帮忙。 (4/970) jiephoebe 2013-12-17 2014-01-01 19:50:25 by zty1112
[Gamess/ ] 【原创】How to use Macmolplt build input file (3/489) galaxyqtm 2011-01-28 2013-12-06 08:17:16 by ysbglucky
[Gamess/ ] [已完结]molecular orbital, natural orbital, natural bond orbital (0/396) xytk04 2013-11-28 2013-11-28 18:12:48 by xytk04
[Gamess/ ] [已完结]CAS过渡态优化的总能量为零？    ( 1 2 3 ) (23/1750) sujialing 2013-11-13 2013-11-19 08:17:50 by sujialing
[Gamess/ ] [已完结]Gamess新手求助 (5/1288) 左边_在左边 2013-11-16 2013-11-18 23:33:55 by harsucprace
[Gamess/ ] [已完结]求gamess算LMOEDA输入文件完整例子。 (1/338) Gongmingxing 2013-11-12 2013-11-15 11:58:01 by Gongmingxing
[Gamess/ ] [已完结][关贴]GUESS=MOREAD 选项造成的一困难求解答。 (1/408) 伽罗佤 2013-10-13 2013-11-08 23:03:31 by 伽罗佤
[Gamess/ ] [已完结]gamess 能量分解 HARTREE值过高? (3/684) Gongmingxing 2013-11-05 2013-11-06 18:50:45 by yflchx
[Gamess/ ] 休闲一下 打开gamess的官网一下看到亮点！    ( 1 2 ) (13/2550) 贺仪 2013-10-24 2013-10-28 15:22:28 by minmin_0082003
[Gamess/ ] [已完结]mcscf方法做hessian计算运行出错，这个错误信息怎么理解？ (2/411) 伽罗佤 2013-10-17 2013-10-17 15:55:05 by 伽罗佤
[Gamess/ ] [已完结]CAS轨道问题 (0/406) sujialing 2013-10-16 2013-10-16 16:25:10 by sujialing
[Gamess/ ] [已完结]请问gamess如何做分子或晶体缺陷的频率计算（振动分析） (4/1174) 伽罗佤 2013-07-25 2013-10-15 09:57:06 by 伽罗佤
[Gamess/ ] Gamess计算激发态时能不能考虑自旋-轨道耦合SOC？ (2/730) 黯焰 2013-08-05 2013-08-08 17:35:59 by 黯焰
[Gamess/ ] 求助，gamess输入文件中的各种分子参数问题 (1/693) lmsak 2013-04-17 2013-08-06 19:37:14 by 伽罗佤
[Gamess/ ] [已完结]Gamess中$DRT参数，比如占据轨道数NOCC，如何设置？ (2/523) 黯焰 2013-07-31 2013-08-02 15:45:33 by 黯焰
[Gamess/ ] gamess 有临时文件 (4/552) gaussian08 2013-07-29 2013-07-29 14:25:37 by pwzhou
[Gamess/ ] [已完结]gamess编译正常结束，但是运行出现TCP connet error。 (1/998) hee_csu 2013-07-25 2013-07-26 17:30:58 by hee_csu
[Gamess/ ] [已完结]如何在GAMESS输入文件中指定某个原子带电？ (7/1631) Nibelungen 2012-07-03 2013-07-26 13:21:41 by 童生
[Gamess/ ] [已完结]总的径向分布函数——电荷密度 (2/1011) cghitwh 2013-07-14 2013-07-15 07:57:11 by cghitwh
[Gamess/ ] Gamess版本问题，以及发文章是否有版权问题！ (3/880) yuanwei0007 2013-07-08 2013-07-08 21:05:54 by yuanwei0007
[Gamess/ ] [已完结]请问如何用GAMESS计算开壳层体系的GVB？ (0/375) ppqq1983 2013-07-02 2013-07-06 22:38:46 by ppqq1983
[Gamess/ ] [已完结]pcm (0/441) Dandiana 2013-07-04 2013-07-05 15:30:26 by Dandiana
[Gamess/ ] [已完结]一个重叠积分的求法 (1/629) oyezzy 2013-06-25 2013-07-01 11:14:44 by sobereva
[Gamess/ ] [已完结]求助一个gamess linux下的批处理脚本 (1/508) Clickerxxx 2013-06-27 2013-06-27 21:15:33 by jerkwin
[Gamess/ ] [已完结]求解GAMESS为啥这么慢。。。 (4/1150) 亍寞 2013-06-27 2013-06-27 13:34:47 by 亍寞
[Gamess/ ] [已完结][关贴]求助，ANO-RCC-VTZP怎么实现？ (0/586) jiephoebe 2013-06-18 2013-06-22 08:22:26 by jiephoebe
[Gamess/ ] GAMESS-US version 2013-05-01 has been realeased (0/616) 寒雨人生 2013-06-07 2013-06-07 17:07:02 by 寒雨人生
[Gamess/ ] Q-Chem中的CIS和TDDFT竟然不能并行？ (2/760) mickey381 2013-06-01 2013-06-01 21:48:03 by mickey381
[Gamess/ ] 【原创首发】gfortran4.6+acml5.0.0 GAMESS2012(gmsnbo etc.) ubuntu 12.04 64bit (3/1644) 寒雨人生 2012-10-11 2013-05-23 15:02:36 by 寒雨人生
[Gamess/ ] [已完结]求 错误ECP INTEGRALS CODED ONLY FOR SPDFG 的解决办法 (2/438) jiephoebe 2013-05-21 2013-05-22 08:38:27 by jiephoebe
[Gamess/ ] 势能面扫描 (7/840) rhsjxs 2012-12-09 2013-05-17 14:56:47 by YQqianqian
[Gamess/ ] [已完结]求助羰基氧化物的自旋多重度 (4/753) wind2275 2013-05-08 2013-05-17 14:54:15 by wind2275
[Gamess/ ] [已完结]Gamess中的CCSD(T)不能计算开壳层分子怎么办？ (0/509) fooo 2013-05-10 2013-05-10 14:58:10 by fooo
[Gamess/ ] [已完结]FMO 方法计算时DDI 报错 (2/496) CMLY 2013-05-03 2013-05-03 17:26:42 by CMLY
[Gamess/ ] [已完结]用gamess计算如何避免在磁盘中存储呢 (6/1162) jiephoebe 2013-04-10 2013-05-03 16:08:53 by jianqin
[Gamess/ ] [已完结]gamess 方法中的FMO方法报错求助 (0/337) CMLY 2013-04-26 2013-04-26 10:13:04 by CMLY
[Gamess/ ] [已完结]gamess 进行tddft 激发态计算，输入文件怎么编辑 (0/1082) CMLY 2013-03-28 2013-04-02 14:34:18 by CMLY
[Gamess/ ] 出错啦！！ (7/747) sujialing 2013-03-22 2013-04-01 08:43:47 by sujialing
[Gamess/ ] [已完结][关贴]gamess势能面扫描 (0/295) jiephoebe 2013-03-29 2013-03-29 16:24:17 by jiephoebe
[Gamess/ ] GAMESS-------2012.5.1-------- new version (10/1354) 寒雨人生 2012-06-01 2013-03-29 07:12:42 by CMLY
[Gamess/ ] [已完结]GAMESS求助 (3/604) 最后的张起灵 2013-03-12 2013-03-21 23:07:20 by 最后的张起灵
[Gamess/ ] gamess 的输出文件 (10/2017) sujialing 2013-03-18 2013-03-20 20:00:00 by fmying
[Gamess/ ] [已完结]新人上手gamess，求帮助 (0/556) jiephoebe 2013-03-20 2013-03-20 08:46:11 by jiephoebe
[Gamess/ ] [已完结]新手求助 (1/360) 素年锦时111 2012-12-08 2013-03-19 18:30:45 by fmying
[Gamess/ ] [已完结]Morokuma energy decomposition和LMOEDA的区别 (1/835) gouyi 2012-11-10 2013-03-19 18:25:39 by fmying
[Gamess/ ] [已完结]Qchem求助 (0/760) oyezzy 2013-03-11 2013-03-11 15:57:31 by oyezzy
[Gamess/ ] [已完结]NOT ENOUGH MEMORY FOR INTEGRAL GROUP BUFFER. (0/422) 素年锦时111 2013-03-08 2013-03-10 16:46:25 by 素年锦时111
[Gamess/ ] 关于漂亮的轨道图形绘制问题 (1/804) joe2000 2013-03-09 2013-03-09 19:03:34 by 一山
[Gamess/ ] [已完结]如果在Gamess-UK基础上装CCP1? (0/350) pizi7880 2013-01-29 2013-01-29 05:18:25 by pizi7880
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