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cp2k
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Science and Technology
> Physics
Science and Technology
> Chemistry
Science and Technology
> Biology
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WARNING: S**2 computation does not yet treat fractional occupied orbitals
By S. Ling - 6:52am - 1 author - 0 replies
[CP2K:3728] spatial distribution plot
By Peter Mamonov - Feb 10 - 2 authors - 1 reply
[CP2K:3726] hwloc support in cp2k-trunk
By Christiane Pousa - Jan 27 - 2 authors - 5 replies
[CP2K:3725] Re: running on cores more than number of atoms
By Chetan Mahajan - Jan 26 - 3 authors - 3 replies
[CP2K:3722] Memory Issue QMMM Cray XE6
By Teodoro Laino - Jan 26 - 2 authors - 1 reply
[CP2K:3718] Re: Few questions from a beginner
By Chetan Mahajan - Jan 24 - 2 authors - 2 replies
[CP2K:3714] why energies the same?
By Chetan Mahajan - Jan 24 - 2 authors - 2 replies
[CP2K:3710] linear solver Subroutine for sparse matrices in DBCSR format
By hut...@pci.uzh.ch - Jan 24 - 2 authors - 1 reply
vibrational analysis from MD
By mottarello - Jan 23 - 1 author - 0 replies
回复: 回复: [CP2K:3706] Re: vdw and scf convergence
By shoutian sun - Jan 20 - 3 authors - 7 replies
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