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NWXC module excluded from NWCHEM_MODULES=all [ci skip]

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Edoardo Aprà 2018-01-12 10:34:01 -08:00 • committed by GitHub
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@ -29,6 +29,7 @@ Gaussian basis DFT & TDDFT (linear-response and real-time)
* Real-time TDDFT excited-state density absorption * Real-time TDDFT excited-state density absorption
* Molecular response properties and TDDFT spectra along the ground state trajectory with Gaussian basis AIMD * Molecular response properties and TDDFT spectra along the ground state trajectory with Gaussian basis AIMD
* Valence-to-core X-ray emission spectroscopy (VtC-XES) with TDDFT * Valence-to-core X-ray emission spectroscopy (VtC-XES) with TDDFT
* NWXC module excluded from NWCHEM_MODULES=all
Plane-wave DFT and dynamics Plane-wave DFT and dynamics
* Changed default compilation to use USE_MPIF=y and USE_MPIF4=y. To return to old defauls use set USE_MPIF=n and * Changed default compilation to use USE_MPIF=y and USE_MPIF4=y. To return to old defauls use set USE_MPIF=n and