Rc 350 #950
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Rc 350 #950
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Update ppconvert
nexus: fix array initialization in GAMESS input class
Nexus: enable command line and add user example tests
Nexus: improve user example tests
Improved mkl fftw
Remove duplicate Nexus example tests
The diffs are big but primarily I'm moving around the code so the intel and non-intel paths are less divergent. Main fix is to check for ffth3.h in mkl/include/fftw, if it is not there we do not add that include path.
Fix:#881 Insuring we check for and use mkl fftw3.h
…r wfnoj.xml are produced and accept the wavefunction from either file as input to qmcpack
Fix BGQ runjob helper script
Remove neighbourlist in distance tables
Manual for PBC gaussians for gamma Kpoint
ghost
assigned 
ye-luo
reviewed
Aug 1, 2018
CHANGELOG.md
Outdated
| wavefunctions. Initial version is limited to Gamma-point. | ||
| * Improved hybrid representation of single particle orbitals | ||
| (APW-like) for significantly reduced memory usage and possible | ||
| accuracy increase compared to conventional spline representation. |
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Could you add an arxiv pointer here? arXiv:1805.07406
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@jtkrogel confirms updated CHANGELOG is OK on Slack |
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OK to test |
ye-luo
approved these changes
Aug 1, 2018
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Release candidate for v3.5.0
@jtkrogel Please check CHANGELOG.md for NEXUS updates