66 lines
1.2 KiB
ReStructuredText
66 lines
1.2 KiB
ReStructuredText
.. _md_tut:
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Molecular Dynamics Tutorials
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============================
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These tutorials introduce molecular dynamics (MD) in CONQUEST, though
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not the topic of MD itself, for which you should consult an
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appropriate textbook.
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.. _md_tut_nve:
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Molecular dynamics: NVE
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-----------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_1``
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.. _md_tut_nvt_svr:
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Molecular dynamics: NVT with SVR
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--------------------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_2``
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.. _md_tut_nvt_nhc:
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Molecular dynamics: NVT with Nose-Hoover chains
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-----------------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_3``
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.. _md_tut_npt_svr_pr:
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Molecular dynamics: NPT with SVR and Parrinello-Rahman
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------------------------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_4``
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.. _md_tut_npt_nhc:
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Molecular dynamics: NPT with Nose-Hoover chains
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-----------------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_5``
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.. _md_tut_cont:
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Molecular dynamics: Continuing a run
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------------------------------------
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* Parameters that are needed
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* The output
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* Files in ``MD_6``
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