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huangj3 created page: ab initio molecular dynamics benchmarking
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Oct 27, 2016
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Huang, Jingsong
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ab-initio-molecular-dynamics-benchmarking.md
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@@ -4,6 +4,7 @@ different KPAR and NPAR show the following tabulated "User time
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@@ -4,6 +4,7 @@ different KPAR and NPAR show the following tabulated "User time
(NSIM=4, LSCALAPACK=.FALSE., LSCALU=.FALSE.)
(NSIM=4, LSCALAPACK=.FALSE., LSCALU=.FALSE.)
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
<p class=MsoNormal style='margin-bottom:0in;margin-bottom:.0001pt;line-height:
normal'>P3HT
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normal'>P3HT
<o:p></o:p></p>
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