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【讨论】ms不能算
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我用dmol3计算时,出现一下The model contains multiple hessians, which DMol3 cannot currently handle. Would you like to delete the hessians and continue the calculation? 该怎样办呢? |
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2楼2010-01-13 19:28:15
3楼2010-01-13 20:01:52