source: molecuilder/src/molecules.hpp

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(edit) @f23d7d   17 years FrederikHeber Basis for MPQC can now be specified via command line switch * -B is …
(edit) @848729   17 years FrederikHeber Just a temporary commit
(edit) @e0c5b1   17 years neuen Multiple changes to boundary, currently not fully operational. …
(edit) @f89a9e   17 years FrederikHeber config::Save() and config::SaveMPQC() now take string for filename, …
(edit) @5a78f5   17 years FrederikHeber BUGFIXES: CyclicStructureAnalysis() now compatible to disconnected …
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