This commit is contained in:
Eisuke Kawashima
2020-03-14 12:38:28 +09:00
parent fa7085be07
commit 649a8cc01a
401 changed files with 617 additions and 617 deletions

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@ -68,7 +68,7 @@ elastic:
in.cnt_electrostatic2 - Mechanical response of CNT with self-consistent charge density and electric field
in.cnt_fixed_charge - Mechancial response of CNT with fixed atomic charges in an electric field
in.eam_energy - Quasi-static/quasi-1D coupling and transfer extraction of energy density for EAM gold
in.electron_density - Mechanical response of differnt CNT models with a self-consistent electron density and electric field
in.electron_density - Mechanical response of different CNT models with a self-consistent electron density and electric field
in.electrostatic_bending_dos - Quasi-static bending of a CNT using a quantum density of states model for electron density
in.no_atoms - FE solution of a box subject to an initial displacement condition
in.no_atoms_cb - FE solution of a box subject to an initial displacement condition with a Cauchy-Born material model
@ -149,7 +149,7 @@ elastic:
in.cnt_electrostatic2 - Mechanical response of CNT with self-consistent charge density and electric field
in.cnt_fixed_charge - Mechancial response of CNT with fixed atomic charges in an electric field
in.eam_energy - Quasi-static/quasi-1D coupling and transfer extraction of energy density for EAM gold
in.electron_density - Mechanical response of differnt CNT models with a self-consistent electron density and electric field
in.electron_density - Mechanical response of different CNT models with a self-consistent electron density and electric field
in.electrostatic_bending_dos - Quasi-static bending of a CNT using a quantum density of states model for electron density
in.no_atoms - FE solution of a box subject to an initial displacement condition
in.no_atoms_cb - FE solution of a box subject to an initial displacement condition with a Cauchy-Born material model

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@ -85,7 +85,7 @@ fix_modify AtC control localized_lambda on
fix_modify AtC filter type exponential
fix_modify AtC filter scale 1000.0
fix_modify AtC filter on
# ouput commands
# output commands
fix_modify AtC output bar1d_fluidsFE 100 text
#undump D1
#dump D2 all atom 200 dump.bar1d

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@ -1,6 +1,6 @@
# simulation of negatively charge liquid argon-positively charged solid/frozen argon
# MAKE this conducting_interface then interface (major difference: non-uniform grid)
# START with extrinsic charges on both and then use an instrinsic charge density for frozen
# START with extrinsic charges on both and then use an intrinsic charge density for frozen
echo both
units real
atom_style full

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@ -1,6 +1,6 @@
# simulation of negatively charge liquid argon-positively charged solid/frozen argon
# MAKE this dielectric_interface then interface (major difference: non-uniform grid)
# START with extrinsic charges on both and then use an instrinsic charge density for frozen
# START with extrinsic charges on both and then use an intrinsic charge density for frozen
echo both
units real
atom_style full

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@ -75,7 +75,7 @@ fix_modify AtC control localized_lambda on
#fix_modify AtC filter scale 1000.0
#fix_modify AtC filter on
# ouput commands
# output commands
fix_modify AtC output shear_flowFE 100 text #binary
#undump D1
#dump D1 all custom 100 shear_flow.dmp id type xs ys zs vx vy vz

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@ -25,7 +25,7 @@ fix_modify AtC reset_time
fix_modify AtC fix velocity y rbc 0.1
fix_modify AtC fix velocity y lbc 0.
# ouput commands
# output commands
fix_modify AtC output shear_no_atomsFE 200 text binary
# set-up non-equilibrium IC
thermo 100

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@ -239,7 +239,7 @@ fix_modify AtC output bar1dFE 100 text binary
ATC: Warning : text output can create _LARGE_ files
ATC: output custom names:
# ouput command
# output command
#dump D1 all atom 1000 dump.bar1d
# run with FE
reset_timestep 0

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@ -71,7 +71,7 @@ thermo 1
run 100
# set up output, should be before a "run"
fix_modify AtC output bar1dFE 100 text binary
# ouput command
# output command
#dump D1 all atom 1000 dump.bar1d
# run with FE
reset_timestep 0

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@ -93,7 +93,7 @@ fix_modify AtC fix_flux temperature lbndy 0.0000000001
fix_modify AtC fix_flux temperature rbndy -0.0000000001
# set up output, should be before a "run"
fix_modify AtC output bar1d_all_atomsFE 200 text binary
# ouput command
# output command
#dump D1 all atom 1000 dump.bar1d
# run with FE
reset_timestep 0

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@ -79,7 +79,7 @@ thermo 100
# set up output, should be before a "run"
fix_modify AtC output bar1d_combinedFE 100 text
# ouput command
# output command
#dump D1 all atom 100 dump.bar1d_combined
# run with FE
reset_timestep 0

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@ -71,7 +71,7 @@ fix_modify AtC fix temperature rbc 20.
run 100
# set up output, should be before a "run"
fix_modify AtC output bar1d_fluxFE 100 text binary
# ouput command
# output command
#dump D1 all atom 1000 dump.bar1d
# run with FE
reset_timestep 0

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@ -72,7 +72,7 @@ fix_modify AtC filter scale 1000.0
fix_modify AtC filter on
# set up output, should be before a "run"
fix_modify AtC output bar1d_frac_stepFE 200 text
# ouput command
# output command
#dump D1 all atom 1000 dump.bar1d
# run with FE
reset_timestep 0