Package: libint-dev (1.2.1-6 and others)
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- Homepage [sourceforge.net]
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Evaluer heltallene i moderne atomar og molekylær teori - udvikling
Biblioteket LIBINT bruges til at evaluere den traditionelle (elektronrepulsion) og bestemte nye two-body matrix-elementer (heltal) over Cartesian Gaussian-funktioner brugt i moderne atomar og molekylær teori. Ideen med biblioteket er at lade computeren skrive optimeret kode for beregning af sådanne heltal. Der er to primære fordele ved dette: meget mindre indsats er krævet for at skrive kode til beregning af nye heltal, og kode kan optimeres specifikt for en bestemt computerarkitektur (f.eks. vektorprocessor).
LIBINT er blevet udnyttet til at implementere metode såsom Hartree-Fock (HF) og KohnSham-tæthedsfunktionel teori (KS DFT), andengrads Moeller- Plesset perturbationsteori (MP2), coupled singles and doubles-metoden (CCSD) samt eksplicit korrelerede R12-metoder.
Denne pakke indeholder udviklingshovedfilerne.
Other Packages Related to libint-dev
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Download libint-dev
| Architecture | Version | Package Size | Installed Size | Files |
|---|---|---|---|---|
| alpha (unofficial port) | 1.2.1-6 | 8,635.5 kB | 81,719.0 kB | [list of files] |
| amd64 | 1.2.1-6 | 7,220.2 kB | 56,337.0 kB | [list of files] |
| arm64 | 1.2.1-6 | 8,037.2 kB | 45,013.0 kB | [list of files] |
| armel | 1.2.1-6 | 9,597.7 kB | 57,564.0 kB | [list of files] |
| armhf | 1.2.1-6 | 8,297.2 kB | 33,561.0 kB | [list of files] |
| hppa (unofficial port) | 1.2.1-6 | 11,063.2 kB | 52,028.0 kB | [list of files] |
| i386 | 1.2.1-6 | 6,141.5 kB | 53,704.0 kB | [list of files] |
| ia64 (unofficial port) | 1.2.1-6 | 14,627.8 kB | 89,093.0 kB | [list of files] |
| m68k (unofficial port) | 1.2.1-6 | 5,267.7 kB | 52,527.0 kB | [list of files] |
| mips64el | 1.2.1-6 | 7,592.1 kB | 59,082.0 kB | [list of files] |
| ppc64 (unofficial port) | 1.2.1-6 | 7,214.1 kB | 48,699.0 kB | [list of files] |
| ppc64el | 1.2.1-6 | 7,657.9 kB | 50,284.0 kB | [list of files] |
| riscv64 | 1.2.1-6+b1 | 13,996.7 kB | 181,290.0 kB | [list of files] |
| s390x | 1.2.1-6 | 6,534.7 kB | 51,007.0 kB | [list of files] |
| sh4 (unofficial port) | 1.2.1-6 | 11,469.4 kB | 41,533.0 kB | [list of files] |
| sparc64 (unofficial port) | 1.2.1-6 | 7,646.9 kB | 59,194.0 kB | [list of files] |
| x32 (unofficial port) | 1.2.1-6 | 7,561.5 kB | 50,198.0 kB | [list of files] |