General Topics

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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How to calculate the free energy from the nwchem output file
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calculate potential energy of atoms
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META NWChem Website Fixed Width Layout
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which would be the optimal hardware for future Nwchem versions ?
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CDFT constain charge for help
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Two Molecule System Doesn't Optimize
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Fortran runtime error: Bad value during floating point read
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APPLICATION TERMINATED WITH THE EXIT STRING....
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Understanding Numerical Gradients with TD-DFT
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RESP example??
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HOMO-LUMO gap in Aun
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run frozen or is it normal
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SARC-ZORA @ nwchem 6.0
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how to put a charge in a certain atom
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molecular orbitals
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NWCHEMRATE
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NWChem 6.3 GPU support
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Cannot post to ECCE forum
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All-Electron calculation for Gold
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dummy charge for help
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