fb16dfecae
Commit b7f05445c0 has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner)
11 lines
700 B
Text
11 lines
700 B
Text
CheMPS2 is a scientific library which contains a spin-adapted implementation
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of the density matrix renormalization group (DMRG) for ab initio quantum
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chemistry. This wavefunction method allows to obtain numerical accuracy in
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active spaces beyond the capabilities of full configuration interaction (FCI),
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and allows to extract the 2-, 3-, and 4-particle reduced density matrices
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(2-, 3- and 4-RDM) of the active space.
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For general active spaces up to 40 electrons in 40 orbitals can be handled with
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DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals.
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The 2-RDM of these active spaces can also be easily extracted, while the 3- and
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4-RDM are limited to about 28 orbitals.
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