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Diffstat (limited to 'science/siesta/pkg-descr')
| -rw-r--r-- | science/siesta/pkg-descr | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/science/siesta/pkg-descr b/science/siesta/pkg-descr new file mode 100644 index 000000000000..7f1ae0f8577c --- /dev/null +++ b/science/siesta/pkg-descr @@ -0,0 +1,10 @@ +SIESTA is both a method and its computer program implementation, to perform +efficient electronic structure calculations and ab initio molecular dynamics +simulations of molecules and solids. SIESTA's efficiency stems from the use of +strictly localized basis sets and from the implementation of linear-scaling +algorithms which can be applied to suitable systems. A very important feature +of the code is that its accuracy and cost can be tuned in a wide range, from +quick exploratory calculations to highly accurate simulations matching the +quality of other approaches, such as plane-wave and all-electron methods. + +WWW: https://departments.icmab.es/leem/siesta/ |