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renormalize line endings. add .gitattributes to configure them explicitly

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This commit is contained in:
Axel Kohlmeyer
2022-03-17 18:21:31 -04:00
parent fc532ae1a0
commit fb8074d294
51 changed files with 177597 additions and 177591 deletions
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126
examples/PACKAGES/interlayer/lebedeva/2particles.in
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@ -1,63 +1,63 @@
# After running LAMMPS with this input script a number of dump files is created.
# To extract the data from there I used grep script:
# grep '^2 ' *cfg > LammpsResult.dat
# After that after removing some text from LammpsResult.dat,
# the data can be viewed by lebedeva00.plot
#
# Author: Zbigniew Koziol, National Center for Nuclear Research, Poland
# Email: softquake@gmail.com
# ---------- Start simulation ---------------------
clear
units metal
dimension 3
boundary f f f
atom_style atomic
# ========================== Create Atomistic Structure ===========================
region whole block 0 20 0 20 0 10
create_box 2 whole
read_data 2particles.dat add append
region graphite block INF INF INF INF 0 10 units box
group graphite type 1 2
group graphene1 type 1
group graphene2 type 2
pair_style hybrid/overlay lebedeva/z 20
pair_coeff * * none
pair_coeff 1 2 lebedeva/z CC.Lebedeva C C
mass 1 12.01 # Carbon
mass 2 12.01 # Carbon
neighbor 0.3 bin
neigh_modify delay 1 check yes
compute peratom all pe/atom
dump 1 all custom 1 dump_lebedeva_*.cfg id x y z c_peratom fx fy fz
dump_modify 1 pad 3
thermo 10
thermo_style custom step pe press temp
thermo_modify lost ignore
label STEP_LOOP
variable MYSTEP loop 0 400 pad # in degrees
variable DELTA_STEP equal 0.05
displace_atoms graphene2 move ${DELTA_STEP} ${DELTA_STEP} 0
run 1
next MYSTEP
jump SELF STEP_LOOP
print "all done"
# After running LAMMPS with this input script a number of dump files is created.
# To extract the data from there I used grep script:
# grep '^2 ' *cfg > LammpsResult.dat
# After that after removing some text from LammpsResult.dat,
# the data can be viewed by lebedeva00.plot
#
# Author: Zbigniew Koziol, National Center for Nuclear Research, Poland
# Email: softquake@gmail.com
# ---------- Start simulation ---------------------
clear
units metal
dimension 3
boundary f f f
atom_style atomic
# ========================== Create Atomistic Structure ===========================
region whole block 0 20 0 20 0 10
create_box 2 whole
read_data 2particles.dat add append
region graphite block INF INF INF INF 0 10 units box
group graphite type 1 2
group graphene1 type 1
group graphene2 type 2
pair_style hybrid/overlay lebedeva/z 20
pair_coeff * * none
pair_coeff 1 2 lebedeva/z CC.Lebedeva C C
mass 1 12.01 # Carbon
mass 2 12.01 # Carbon
neighbor 0.3 bin
neigh_modify delay 1 check yes
compute peratom all pe/atom
dump 1 all custom 1 dump_lebedeva_*.cfg id x y z c_peratom fx fy fz
dump_modify 1 pad 3
thermo 10
thermo_style custom step pe press temp
thermo_modify lost ignore
label STEP_LOOP
variable MYSTEP loop 0 400 pad # in degrees
variable DELTA_STEP equal 0.05
displace_atoms graphene2 move ${DELTA_STEP} ${DELTA_STEP} 0
run 1
next MYSTEP
jump SELF STEP_LOOP
print "all done"