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authorYuri Victorovich <yuri@FreeBSD.org>2018-07-18 21:47:12 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2018-07-18 21:47:12 +0000
commita7c59946a6dce2880abb39c56483655d96144a47 (patch)
treecc78048926e7d3d2e1e0f63f6b144930d413e529 /science/quantum-espresso/pkg-descr
parent8d6548eb029f5cc9fa9367f623fed3982eed8549 (diff)
downloadports-a7c59946a6dce2880abb39c56483655d96144a47.tar.gz
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New port: science/quantum-espresso: Package for research in electronic structure, simulation, optimization
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+Quantum ESPRESSO is an integrated suite of open-source computer codes
+for electronic-structure calculations and materials modeling at the nanoscale.
+It is based on density-functional theory, plane waves, and pseudopotentials.
+
+Quantum ESPRESSO has evolved into a distribution of independent and
+inter-operable codes in the spirit of an open-source project. The Quantum
+ESPRESSO distribution consists of a "historical" core set of components, and
+a set of plug-ins that perform more advanced tasks, plus a number of third-party
+packages designed to be inter-operable with the core components. Researchers
+active in the field of electronic-structure calculations are encouraged to
+participate in the project by contributing their own codes or by implementing
+their own ideas into existing codes.
+
+WWW: https://www.quantum-espresso.org/