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updates [ci skip]

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edoapra 2019-10-10 14:54:09 -07:00
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release.notes.7.0.0
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@ -13,13 +13,19 @@ NWChem 7.0.0 will be released with the latest Global Arrays Toolkit (v5.7).
NEW FUNCTIONALITY
- Improved and automated Simint Interface
- DUCC
- DUCC Quantum computing
- MetaGGA XC functionals for PSPW
- SCAN/SCANR ... XC functionals for LCAO DFT
- Python 3
- OpenMP GPU offload (work in progress)
BUG FIXES/ENHANCEMENTS
- Improved Python installation options. No env. variables need.
Only PYTHONVERSION might be supplied.
Requirement: python and python-config (or v3 variants) in PATH
@ -28,3 +34,5 @@ BUG FIXES/ENHANCEMENTS
- port to latest GNU compilers (9 and 10)
- port to Flang compiler (aarch64 and x86_64)