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improve numerical nuclear derivative printing Test #798: Commit 27f6d18 pushed by tjira
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improve numerical nuclear derivative printing Documentation #504: Commit 27f6d18 pushed by tjira
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improve numerical nuclear derivative printing Mirror #348: Commit 27f6d18 pushed by tjira
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refactor the runFromSystem functions Test #797: Commit da87044 pushed by tjira
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refactor the runFromSystem functions Documentation #503: Commit da87044 pushed by tjira
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refactor the runFromSystem functions Mirror #347: Commit da87044 pushed by tjira
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implement the BFGS optimizer Test #796: Commit 0d3876e pushed by tjira
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implement the BFGS optimizer Mirror #346: Commit 0d3876e pushed by tjira
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implement the BFGS optimizer Documentation #502: Commit 0d3876e pushed by tjira
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implement steepest descent molecular optimization Documentation #501: Commit f6fb4d4 pushed by tjira
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implement steepest descent molecular optimization Mirror #345: Commit f6fb4d4 pushed by tjira
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implement steepest descent molecular optimization Test #795: Commit f6fb4d4 pushed by tjira
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add --generic flag to library.pl Test #794: Commit 2138085 pushed by tjira
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add --generic flag to library.pl Documentation #500: Commit 2138085 pushed by tjira
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add --generic flag to library.pl Mirror #344: Commit 2138085 pushed by tjira
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implement density matrix guesses Mirror #343: Commit b9fdabf pushed by tjira
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implement density matrix guesses Documentation #499: Commit b9fdabf pushed by tjira
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implement density matrix guesses Test #793: Commit b9fdabf pushed by tjira
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remove file reads from numerical gradients Documentation #498: Commit f53f810 pushed by tjira
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remove file reads from numerical gradients Test #792: Commit f53f810 pushed by tjira
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remove file reads from numerical gradients Mirror #342: Commit f53f810 pushed by tjira
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update TODO.md Documentation #497: Commit 4250065 pushed by tjira
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update TODO.md Mirror #341: Commit 4250065 pushed by tjira
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update TODO.md Test #791: Commit 4250065 pushed by tjira
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implement charge and multiplicity specification Test #790: Commit 31fc90e pushed by tjira
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