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docs/lammpstutorials-inputs

docs/sphinx/source/journal-article.bib

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@@ -124,7 +124,6 @@ @article{wolde-kidanInterplayInterfacialViscosity2021
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number = {28},
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pages = {8463--8473},
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issn = {0743-7463, 1520-5827},
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doi = {10.1021/acs.langmuir.1c00868},
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}
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@article{ryckaert1977numerical,
@@ -159,7 +158,6 @@ @article{fixmanRadiusGyrationPolymer1962a
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year = {1962},
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pages = {306--310},
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issn = {0021-9606, 1089-7690},
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doi = {10.1063/1.1732501},
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}
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@article{martyna1994constant,
@@ -283,7 +281,7 @@ @article{thompson2022lammps
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@book{van1995python,
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title={Python reference manual},
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author={Van Rossum, Guido and Drake Jr, Fred L},
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author={van Rossum, Guido and Drake Jr, Fred L},
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year={1995},
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publisher={Centrum voor Wiskunde en Informatica Amsterdam}
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}
@@ -322,7 +320,7 @@ @article{michaud2011mdanalysis
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@article{schmid2011definition,
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title={Definition and testing of the GROMOS force-field versions 54A7 and 54B7},
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author={Schmid, Nathan and Eichenberger, Andreas P and Choutko, Alexandra and Riniker, Sereina and Winger, Moritz and Mark, Alan E and Van Gunsteren, Wilfred F},
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author={Schmid, Nathan and Eichenberger, Andreas P and Choutko, Alexandra and Riniker, Sereina and Winger, Moritz and Mark, Alan E and van Gunsteren, Wilfred F},
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journal={European biophysics journal},
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volume={40},
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pages={843--856},
@@ -387,6 +385,7 @@ @misc{sveinsson2021logfile
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year = {2021},
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publisher = {GitHub},
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journal = {GitHub repository},
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howpublished = {\url{https://github.com/henriasv/lammps-logfile}},
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commit = {b7e87d7}
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}
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@@ -402,11 +401,13 @@ @misc{kohlmeyer2017topotools
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author={Kohlmeyer, Axel and Vermaas, Josh},
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year={2021},
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publisher={Zenodo},
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url={https://doi.org/10.5281/zenodo.598373}
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}
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@misc{grossfieldimplementation,
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title={An implementation of {{WHAM}}: the Weighted Histogram Analysis Method Version 2.0.10},
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author={Grossfield, Alan}
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author={Grossfield, Alan},
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url= { http://membrane.urmc.rochester.edu/content/wham/}
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}
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@article{vashishta1990interaction,
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@article{berendsen1984molecular,
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title={Molecular dynamics with coupling to an external bath},
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author={Berendsen, Herman JC and Postma, JPM van and Van Gunsteren, Wilfred F and DiNola, ARHJ and Haak, Jan R},
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author={Berendsen, Herman JC and Postma, JPM and van Gunsteren, Wilfred F and DiNola, ARHJ and Haak, Jan R},
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journal={The Journal of chemical physics},
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volume={81},
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number={8},
@@ -519,7 +520,7 @@ @article{mackerell2000development
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@article{zou2012investigation,
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title={Investigation of complex iron surface catalytic chemistry using the {{ReaxFF}} reactive force field method},
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author={Zou, Chenyu and Van Duin, Adri},
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author={Zou, Chenyu and van Duin, Adri},
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journal={Jom},
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volume={64},
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pages={1426--1437},
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@article{van2001reaxff,
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title={{{ReaxFF}}: a reactive force field for hydrocarbons},
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author={Van Duin, Adri CT and Dasgupta, Siddharth and Lorant, Francois and Goddard, William A},
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author={van Duin, Adri CT and Dasgupta, Siddharth and Lorant, Francois and Goddard, William A},
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journal={The Journal of Physical Chemistry A},
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volume={105},
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number={41},
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@article{oostenbrink2004biomolecular,
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title={A biomolecular force field based on the free enthalpy of hydration and solvation: the {{GROMOS}} force-field parameter sets {{53A5}} and {{53A6}}},
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author={Oostenbrink, Chris and Villa, Alessandra and Mark, Alan E and Van Gunsteren, Wilfred F},
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author={Oostenbrink, Chris and Villa, Alessandra and Mark, Alan E and van Gunsteren, Wilfred F},
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journal={Journal of computational chemistry},
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volume={25},
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number={13},

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