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

This commit is contained in:
cdt1802 2020-01-15 12:07:26 +00:00
parent 198a40ada6
commit 331fff0613
6 changed files with 1560 additions and 1 deletions

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@ -0,0 +1,37 @@
#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

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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 \

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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