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sjplimp
2016-08-27 23:09:15 +00:00
parent a62bae7d33
commit 236241b100
39 changed files with 353 additions and 197 deletions
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6
doc/src/fix_nve_manifold_rattle.txt
View File

@ -76,6 +76,10 @@ This fix is part of the USER-MANIFOLD package. It is only enabled if LAMMPS
was built with that package. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
Only use this with {min_style hftn} or {min_style quickmin}. If not, the constraints
will not be satisfied very well at all. A warning is generated if the {min_style} is
incompatible but no error.
:line
[Related commands:]
@ -90,7 +94,7 @@ section for more info.
[(Andersen)] Andersen, J. Comp. Phys. 52, 24, (1983).
:link(Paquay)
[(Paquay)] Paquay and Kusters, Biophys. J., 110, 6, (2016).
[(Paquay)] Paquay and Kusters, Biophys. J., 110, ???, (2016), to be published,
preprint available at "arXiv:1411.3019"_http://arxiv.org/abs/1411.3019/.

6
doc/src/fix_nvt_manifold_rattle.txt
View File

@ -62,6 +62,10 @@ This fix is part of the USER-MANIFOLD package. It is only enabled if LAMMPS
was built with that package. See the "Making LAMMPS"_Section_start.html#start_3
section for more info.
Only use this with {min_style hftn} or {min_style quickmin}. If not, the constraints
will not be satisfied very well at all. A warning is generated if the {min_style} is
incompatible but no error.
:line
@ -76,6 +80,6 @@ section for more info.
[(Andersen)] Andersen, J. Comp. Phys. 52, 24, (1983).
:link(Paquay)
[(Paquay)] Paquay and Kusters, Biophys. J., 110, 6, (2016).
[(Paquay)] Paquay and Kusters, Biophys. J., 110, ???, (2016), to be published,
preprint available at "arXiv:1411.3019"_http://arxiv.org/abs/1411.3019/.