source: src

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Diff Rev Age Author Log Message
(edit) @1c7075   13 years FrederikHeber Placed const char devnull as global const.
(edit) @05c6bc   13 years FrederikHeber Extracted checking of basis set against given limit into own function.
(edit) @9b827f   13 years FrederikHeber Extracted setting up of molecular checkpoint file into own function.
(edit) @dca43b   13 years FrederikHeber Placed const char devnull as global const.
(edit) @666f70   13 years FrederikHeber Extracted parsing restart file into own function.
(edit) @09bc09   13 years FrederikHeber Extracted getting integral factory into own function.
(edit) @f5403d   13 years FrederikHeber Extracted setting up debugger into own function.
(edit) @7ed4e8   13 years FrederikHeber Extracted getting memory group into own function.
(edit) @3cb97b   13 years FrederikHeber Extracted getting thread group into own function.
(edit) @41f82c   13 years FrederikHeber Extracted parsing input into keyvalue into own function.
(edit) @3d4397   13 years FrederikHeber Extracted making announcement into own function.
(edit) @c676ca   13 years FrederikHeber Extracted initialising of timers into own function.
(edit) @8860a6   13 years FrederikHeber Extract setup of SCFormIO structure into own function.
(edit) @a98b86   13 years FrederikHeber Extracted function saveState().
(edit) @a8458d   13 years FrederikHeber Made truevalue and falsevalue into global constants.
(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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