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author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-07-18 21:47:12 +0000 |
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committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-07-18 21:47:12 +0000 |
commit | a7c59946a6dce2880abb39c56483655d96144a47 (patch) | |
tree | cc78048926e7d3d2e1e0f63f6b144930d413e529 /science/quantum-espresso/pkg-descr | |
parent | 8d6548eb029f5cc9fa9367f623fed3982eed8549 (diff) | |
download | ports-a7c59946a6dce2880abb39c56483655d96144a47.tar.gz ports-a7c59946a6dce2880abb39c56483655d96144a47.zip |
New port: science/quantum-espresso: Package for research in electronic structure, simulation, optimization
Notes
Notes:
svn path=/head/; revision=474904
Diffstat (limited to 'science/quantum-espresso/pkg-descr')
-rw-r--r-- | science/quantum-espresso/pkg-descr | 14 |
1 files changed, 14 insertions, 0 deletions
diff --git a/science/quantum-espresso/pkg-descr b/science/quantum-espresso/pkg-descr new file mode 100644 index 000000000000..581e4914a9e4 --- /dev/null +++ b/science/quantum-espresso/pkg-descr @@ -0,0 +1,14 @@ +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/ |