NWChem functionality

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Many, MANY imaginary modes
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Geometry optimization
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a
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data distribution and work distribution
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NBO functionality
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NWPW calculation for Mg 2+
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How to get One- and Two-particle density matrices out of non-MCSCF calculations?
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One electron overlap integrals
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Build as Shared Library
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Real time propagation with atomic basis
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Natural Orbital Analysis from mp2nos
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RESP2 charges
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P99

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