source: src/bin/mpqc

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Diff Rev Age Author Log Message
(edit) @d39b2b   13 years FrederikHeber Extracted printing of Options (keyvals) into own function.
(edit) @203fe4   13 years FrederikHeber Extracted setting of output base name into own function.
(edit) @36d8ab   13 years FrederikHeber Extracted function getInputFileNames() from try_main().
(edit) @aa42a9   13 years FrederikHeber Extracted getting of MPI Message group into own function.
(edit) @62dabe   13 years FrederikHeber Extracted Option parsing and setting into extra functions.
(edit) @d11832   13 years FrederikHeber Added as temporary output all that is needed to get density on a grid. …
(edit) @027140   13 years FrederikHeber Added output of number of AOs, AO density matrix, and name of basis …
(edit) @31c708   13 years FrederikHeber Added command-line option "-n" to initiate input/output via network.
(add) @5d30c1   13 years FrederikHeber Initial commit based on 3.0.0alpha (here claimed as 2.4). - simply …
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