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multiscale
lammps
Commits
af748745
Commit
af748745
authored
7 years ago
by
Axel Kohlmeyer
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rename references to USER-CG-CMM to USER-CGSDK
parent
949d61e0
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doc/src/Section_intro.txt
+1
-1
1 addition, 1 deletion
doc/src/Section_intro.txt
doc/src/Section_packages.txt
+17
-15
17 additions, 15 deletions
doc/src/Section_packages.txt
doc/src/angle_sdk.txt
+1
-1
1 addition, 1 deletion
doc/src/angle_sdk.txt
doc/src/pair_sdk.txt
+1
-1
1 addition, 1 deletion
doc/src/pair_sdk.txt
with
20 additions
and
18 deletions
doc/src/Section_intro.txt
+
1
−
1
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af748745
...
@@ -515,7 +515,7 @@ the packages they have written are somewhat unique to LAMMPS and the
...
@@ -515,7 +515,7 @@ the packages they have written are somewhat unique to LAMMPS and the
code would not be as general-purpose as it is without their expertise
code would not be as general-purpose as it is without their expertise
and efforts.
and efforts.
Axel Kohlmeyer (Temple U), akohlmey at gmail.com, SVN and Git repositories, indefatigable mail list responder, USER-CG
-CMM
and USER-OMP packages
Axel Kohlmeyer (Temple U), akohlmey at gmail.com, SVN and Git repositories, indefatigable mail list responder, USER-CG
SDK
and USER-OMP packages
Roy Pollock (LLNL), Ewald and PPPM solvers
Roy Pollock (LLNL), Ewald and PPPM solvers
Mike Brown (ORNL), brownw at ornl.gov, GPU package
Mike Brown (ORNL), brownw at ornl.gov, GPU package
Greg Wagner (Sandia), gjwagne at sandia.gov, MEAM package for MEAM potential
Greg Wagner (Sandia), gjwagne at sandia.gov, MEAM package for MEAM potential
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doc/src/Section_packages.txt
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17
−
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@@ -1139,8 +1139,8 @@ The current list of user-contributed packages is as follows:
...
@@ -1139,8 +1139,8 @@ The current list of user-contributed packages is as follows:
Package, Description, Author(s), Doc page, Example, Pic/movie, Library
Package, Description, Author(s), Doc page, Example, Pic/movie, Library
"USER-ATC"_#USER-ATC, atom-to-continuum coupling, Jones & Templeton & Zimmerman (1), "fix atc"_fix_atc.html, USER/atc, "atc"_atc, lib/atc
"USER-ATC"_#USER-ATC, atom-to-continuum coupling, Jones & Templeton & Zimmerman (1), "fix atc"_fix_atc.html, USER/atc, "atc"_atc, lib/atc
"USER-AWPMD"_#USER-AWPMD, wave-packet MD, Ilya Valuev (JIHT), "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, -, lib/awpmd
"USER-AWPMD"_#USER-AWPMD, wave-packet MD, Ilya Valuev (JIHT), "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, -, lib/awpmd
"USER-CG-CMM"_#USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style lj/sdk"_pair_sdk.html, USER/cg-cmm, "cg"_cg, -
"USER-CGDNA"_#USER-CGDNA, coarse-grained DNA force fields, Oliver Henrich (U Strathclyde Glasgow), src/USER-CGDNA/README, USER/cgdna, -, -
"USER-CGDNA"_#USER-CGDNA, coarse-grained DNA force fields, Oliver Henrich (U Strathclyde Glasgow), src/USER-CGDNA/README, USER/cgdna, -, -
"USER-CGSDK"_#USER-CGSDK, SDK coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style lj/sdk"_pair_sdk.html, USER/cgsdk, "cgsdk"_cgsdk, -
"USER-COLVARS"_#USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (2), "fix colvars"_fix_colvars.html, USER/colvars, "colvars"_colvars, lib/colvars
"USER-COLVARS"_#USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (2), "fix colvars"_fix_colvars.html, USER/colvars, "colvars"_colvars, lib/colvars
"USER-DIFFRACTION"_#USER-DIFFRACTION, virutal x-ray and electron diffraction, Shawn Coleman (ARL),"compute xrd"_compute_xrd.html, USER/diffraction, -, -
"USER-DIFFRACTION"_#USER-DIFFRACTION, virutal x-ray and electron diffraction, Shawn Coleman (ARL),"compute xrd"_compute_xrd.html, USER/diffraction, -, -
"USER-DPD"_#USER-DPD, reactive dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, -
"USER-DPD"_#USER-DPD, reactive dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, -
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@@ -1169,7 +1169,7 @@ Package, Description, Author(s), Doc page, Example, Pic/movie, Library
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@@ -1169,7 +1169,7 @@ Package, Description, Author(s), Doc page, Example, Pic/movie, Library
:tb(ea=c)
:tb(ea=c)
:link(atc,http://lammps.sandia.gov/pictures.html#atc)
:link(atc,http://lammps.sandia.gov/pictures.html#atc)
:link(cg,http://lammps.sandia.gov/pictures.html#cg)
:link(cg
sdk
,http://lammps.sandia.gov/pictures.html#cg)
:link(eff,http://lammps.sandia.gov/movies.html#eff)
:link(eff,http://lammps.sandia.gov/movies.html#eff)
:link(manifold,http://lammps.sandia.gov/movies.html#manifold)
:link(manifold,http://lammps.sandia.gov/movies.html#manifold)
:link(sph,http://lammps.sandia.gov/movies.html#sph)
:link(sph,http://lammps.sandia.gov/movies.html#sph)
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@@ -1267,18 +1267,18 @@ physik.hu-berlin.de). Contact him directly if you have questions.
...
@@ -1267,18 +1267,18 @@ physik.hu-berlin.de). Contact him directly if you have questions.
:line
:line
USER-CG
-CMM
package :link(USER-CG
-CMM
),h5
USER-CG
SDK
package :link(USER-CG
SDK
),h5
Contents: CG
-CMM
stands for
coarse-grained ??. This package
Contents: CG
SDK
stands for
Shinoda-DeVane-Klein (SDK) coarse-grained
implements several pair styles and an angle style using the coarse
molecular dynamics force field. This package implements several pair
grained parametrization of Shinoda, DeVane, Klein, Mol Sim, 33, 27
styles and an angle style using the coarse grained parametrization of
(2007) (SDK), with extensions to simulate ionic liquids, electrolytes,
Shinoda, DeVane, Klein, Mol Sim, 33, 27 (2007) (SDK), with extensions
lipids and charged amino acids. See src/USER-CG-CMM/README for more
to simulate ionic liquids, electrolytes, lipids and charged amino acids.
details.
See src/USER-CGSDK/README for more
details.
Supporting info: src/USER-CG
-CMM
/README, "pair lj/sdk"_pair_sdk.html,
Supporting info: src/USER-CG
SDK
/README, "pair lj/sdk"_pair_sdk.html,
"pair lj/sdk/coul/long"_pair_sdk.html, "angle sdk"_angle_sdk.html,
"pair lj/sdk/coul/long"_pair_sdk.html, "angle sdk"_angle_sdk.html,
examples/USER/cg
-cmm
examples/USER/cg
sdk
Author: Axel Kohlmeyer at Temple U (akohlmey at gmail.com). Contact
Author: Axel Kohlmeyer at Temple U (akohlmey at gmail.com). Contact
him directly if you have questions.
him directly if you have questions.
...
@@ -1329,10 +1329,12 @@ src/USER-COLVARS/README, lib/colvars/README, "fix
...
@@ -1329,10 +1329,12 @@ src/USER-COLVARS/README, lib/colvars/README, "fix
colvars"_fix_colvars.html, examples/USER/colvars
colvars"_fix_colvars.html, examples/USER/colvars
Authors: Axel Kohlmeyer at Temple U (akohlmey at gmail.com) wrote the
Authors: Axel Kohlmeyer at Temple U (akohlmey at gmail.com) wrote the
fix. The COLVARS library itself is written and maintained by Giacomo
interface that integrates colvars into LAMMPS. The COLVARS library
Fiorin (ICMS, Temple University, Philadelphia, PA, USA) and Jerome
itself is written and maintained by Giacomo Fiorin (ICMS, Temple
Henin (LISM, CNRS, Marseille, France). Contact them directly if you
University, Philadelphia, PA, USA) and Jerome Henin (LISM, CNRS,
have questions.
Marseille, France). For more info, and to communicate with the COLVARS
developers, please go to COLVARS home page at
"http://colvars.github.io"_http://colvars.github.io/.
:line
:line
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doc/src/angle_sdk.txt
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@@ -46,7 +46,7 @@ from the pair_style.
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@@ -46,7 +46,7 @@ from the pair_style.
[Restrictions:]
[Restrictions:]
This angle style can only be used if LAMMPS was built with the
This angle style can only be used if LAMMPS was built with the
USER-CG
-CMM
package. See the "Making
USER-CG
SDK
package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info on packages.
LAMMPS"_Section_start.html#start_3 section for more info on packages.
[Related commands:]
[Related commands:]
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doc/src/pair_sdk.txt
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@@ -134,7 +134,7 @@ respa"_run_style.html command.
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@@ -134,7 +134,7 @@ respa"_run_style.html command.
[Restrictions:]
[Restrictions:]
All of the lj/sdk pair styles are part of the USER-CG
-CMM
package.
All of the lj/sdk pair styles are part of the USER-CG
SDK
package.
The {lj/sdk/coul/long} style also requires the KSPACE package to be
The {lj/sdk/coul/long} style also requires the KSPACE package to be
built (which is enabled by default). They are only enabled if LAMMPS
built (which is enabled by default). They are only enabled if LAMMPS
was built with that package. See the "Making
was built with that package. See the "Making
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