lp:~pablolopez/siesta/propagators

Created by Pablo Lopez and last modified
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Owner:
Pablo Lopez
Project:
Siesta
Status:
Development

Recent revisions

763. By Pablo Lopez

Avoiding electron density writing in n+1 step.

762. By Pablo Lopez

Including option to write TD-electron density in the case of RT-TDDFT and clamped nuclei.

761. By Pablo Lopez

Fix of printing information using Default propagator

760. By Pablo Lopez

Insertion of subdivisions and high-order formula in the propagation.

759. By Pablo Lopez

Bug fix in previous extrapolation scheme

758. By Pablo Lopez

Bug fix in previous extrapolation scheme

757. By Pablo Lopez

Bug fix in previous extrapolation scheme

756. By Pablo Lopez

Insert new TDDFT propagators

755. By Alberto Garcia

Fix logic in spin options module

Routine m_spin::spin_init did not handle correctly conflicting
instructions between deprecated keywords (SpinOrbit, SpinPolarized,
NonCollinearSpin) and the new 'Spin <option>' input method.

Now a warning is printed and the 'Spin <option>' method takes proper
precedence.

(Thanks to Peter Christian Schmitz for the bug report)

754. By Nick Papior

Merged r1051-r1054, ABC semi-infinite, and smaller fixes for Mesh.Sizes etc.

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lp:siesta
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