Commit 331fff06 authored by cdt1802's avatar cdt1802
Browse files

moved files to USER-MISC, added README entry, added examples

parent 198a40ad

examples/USER/misc/mesocnt/cnt.data

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examples/USER/misc/mesocnt/cnt.in

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#Initialisation



units 		      nano

dimension 	    3

boundary 	      p p p

atom_style 	    full

comm_modify 	  vel no cutoff 33.0

neighbor 	      7.80 bin

newton 	        on



#Read data



read_data 	    cnt.data



#Force field



bond_style 	    harmonic

bond_coeff 	    1 268896.77 2.0



angle_style 	  harmonic

angle_coeff 	  1 46562.17 180.0



pair_style 	    mesocnt

pair_coeff      * * 10_10.cnt



#Output



thermo 	        10000

dump 	          xyz all xyz 1000 cnt.xyz



#Simulation setup



timestep 	      1.0e-05



#Nose-Hoover thermostat

fix 	          nvt all nvt temp 300 300 0.001

run 	          100000

src/Makefile

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@@ -60,7 +60,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \ 


PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \

	   user-diffraction user-dpd user-drude user-eff user-fep user-h5md \

	   user-intel user-lb user-manifold user-meamc user-meso user-mesocnt\

	   user-intel user-lb user-manifold user-meamc user-meso \

	   user-mgpt user-misc user-mofff user-molfile \

	   user-netcdf user-omp user-phonon user-plumed user-ptm user-qmmm \

	   user-qtb user-quip user-reaxc user-scafacos user-smd user-smtbq \

src/USER-MISC/README

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@@ -86,6 +86,7 @@ pair_style kolmogorov/crespi/full, Wengen Ouyang (Tel Aviv University), w.g.ouya 
pair_style kolmogorov/crespi/z, Jaap Kroes (Radboud U), jaapkroes at gmail dot com, 28 Feb 17

pair_style meam/spline, Alexander Stukowski (LLNL), alex at stukowski.com, 1 Feb 12

pair_style meam/sw/spline, Robert Rudd (LLNL), robert.rudd at llnl.gov, 1 Oct 12

pair_style mesocnt, Philipp Kloza (U Cambridge), pak37 at cam.ac.uk, 15 Jan 20

pair_style morse/smooth/linear, Stefan Paquay (TU Eindhoven), stefanpaquay at gmail.com, 29 Feb 16

pair_style srp, Tim Sirk, tim.sirk at us.army.mil, 21 Nov 14

pair_style tersoff/table, Luca Ferraro, luca.ferraro@caspur.it, 1 Dec 11

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