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SunnyRain0.0

金虫 (正式写手)

[求助] Discover 结构优化失败,求指点

Error: tensor element equals to 0 for a divide operation
    while executing
"vector temp divide $temp $nb_Bij"
    invoked from within
"if {$combination == "sixth_power"} {

    vector ones fill 1.0 $nType
    vector ones vectorTranspose $ones

    vector nb_r vectorTranspose $nb_r
    ..."
    (procedure "baseTailCorrection" line 55)
    invoked from within
"baseTailCorrection $vdWTail(cutoff)"
    invoked from within
"if {![info exists vdWTail(energy)]} {
    set vdWTail(cutoff) $r_cutoff
    baseTailCorrection $vdWTail(cutoff)
  } else {
    if {$r_cutoff != $vdWTa ..."
    (procedure "fullTailCorrection" line 22)
    invoked from within
"fullTailCorrection $cutoff_onoffsw $printOnly"
    invoked from within
"if {!$printOnly} {
    fullTailCorrection $cutoff_onoffsw $printOnly
    puts "NOTE: Pressure and energy tail corrections will be added to all subsequ ..."
    (procedure "vdWTailCorrection" line 65)
    invoked from within
"vdWTailCorrection 9.50"

Total time used by DISCOVER: 0.24 secs

Completion date: Tue Jul 23 07:27:16 2013
Exiting Discover: An ERROR has occurred!
求高手指点这是什么原因导致的错误
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呀呀杨会苗

铜虫 (初入文坛)

求助,我也遇到同样的问题!!!求大神帮助啊。
2楼2015-01-06 09:55:26
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