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authorNichols A. Romero <naromero77@users.noreply.github.com>2020-05-03 15:53:01 -0500
committerGitHub <noreply@github.com>2020-05-03 14:53:01 -0600
commit860c54335dab3c766b2f692e77941b7dce28ab8e (patch)
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QE-to-QMCPACK wave function converter relocation + some bug fixes (#16422)
* Revise description of patch variant. * Add qmcpack variant. Apply QE-to-QMCPACK wave function converter patch. * Clean-up, document, and re-organize. * ELPA patches did not nead when=`+patch` variant. * Need to be more precise here with QE version numbers. * satisfies seems to be necessary here in order to get correct behaviour. * Buglet with zlib link line. * Update var/spack/repos/builtin/packages/quantum-espresso/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Update var/spack/repos/builtin/packages/quantum-espresso/package.py Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com> * Fix for QE-to-QMCPACK wave function converter w.r.t. QE 6.3. Also adjust comments to reflect changes in code. Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
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