Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
GNU General Public License v3.0
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Use new schemes in QuantumESPRESSOBase.jl & QuantumESPRESSOParsers.jl #27
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singularitti closed 4 years ago
Please check if the PR fulfills these requirements
[ ] The commit message follows our guidelines
[ ] Tests for the changes have been added (for bug fixes / features)
[ ] Docs have been added / updated (for bug fixes / features)
What kind of change does this PR introduce? (Bug fix, feature, docs update, ...) Use the new types introduced in
QuantumESPRESSOBase.jl
PR 37 ans new parsing interface introduced inQuantumESPRESSOParsers.jl
PR 38 and 39