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bleed

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GFN-FF reparameterization for lanthanides and extension to actinides (#…

…1103)

enables GFN-FF calculations for systems including elements up to lawrencium (103).
performance has been improved for lanthanides.
neighbor list can be manually adjusted via the detailed input file
unit tests have been added to test Ln/An energies, gradients, and the Ln/An-H neighbor list setup.

v6.7.1

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push to v6.7.1

Signed-off-by: Albert Katbashev <[email protected]>

v6.7.0

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push version 6.7.0 (#980)

Signed-off-by: albert <[email protected]>

v6.6.1

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Push Version to 6.6.1

Signed-off-by: MtoLStoN <[email protected]>

v6.6.0

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Update workflows to meson 0.62.0 (#768)

Signed-off-by: MtoLStoN <[email protected]>

v6.5.1

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Release version 6.5.1 (#662)

v6.5.0

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Bump to version 6.5.0 (#618)

v6.4.1

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Fix gridfile keyword (#489)

v6.4.0

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Bump program version to 6.4.0 (#428)

v6.3.3

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Guard time estimate printout in hessian with omp critical (#350)