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Tweak ASPHERE examples

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This commit is contained in:
Stan Gerald Moore
2021-05-17 10:27:57 -06:00
parent cc99be900a
commit fb3fdb43a1
9 changed files with 9 additions and 9 deletions
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2
examples/ASPHERE/box/in.box
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@ -24,7 +24,7 @@ pair_coeff 1 2 0.0 0.0
variable prefactor equal ramp(0,60) variable prefactor equal ramp(0,60)
fix soft all adapt 1 pair soft a * * v_prefactor fix soft all adapt 1 pair soft a * * v_prefactor
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big rigid molecule fix 1 big rigid molecule

2
examples/ASPHERE/box/in.box.mp
View File

@ -24,7 +24,7 @@ pair_coeff 1 2 0.0 0.0
variable prefactor equal ramp(0,60) variable prefactor equal ramp(0,60)
fix soft all adapt 1 pair soft a * * v_prefactor fix soft all adapt 1 pair soft a * * v_prefactor
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big rigid molecule fix 1 big rigid molecule

2
examples/ASPHERE/ellipsoid/in.ellipsoid
View File

@ -26,7 +26,7 @@ pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0 pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0 pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere fix 1 big nve/asphere

2
examples/ASPHERE/ellipsoid/in.ellipsoid.mp
View File

@ -26,7 +26,7 @@ pair_coeff 1 1 1.0 1.0 1 1 1 1 1 1
pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0 pair_coeff 1 2 1.0 1.0 1 1 1 1 1 1 0.0
pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0 pair_coeff 2 2 1.0 1.0 1 1 1 1 1 1 0.0
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big nve/asphere fix 1 big nve/asphere

2
examples/ASPHERE/line/in.line
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@ -8,7 +8,7 @@ read_data data.line
velocity all create 1.44 320984 loop geom velocity all create 1.44 320984 loop geom
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
neigh_modify exclude molecule/intra all neigh_modify exclude molecule/intra all

2
examples/ASPHERE/poly/in.poly
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@ -28,7 +28,7 @@ pair_coeff 2 2 1.0 2.0 2.24
pair_coeff 3 3 1.0 1.5 1.68 pair_coeff 3 3 1.0 1.5 1.68
pair_coeff 4 4 0.0 1.0 0.0 pair_coeff 4 4 0.0 1.0 0.0
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big nve fix 1 big nve

2
examples/ASPHERE/poly/in.poly.mp
View File

@ -28,7 +28,7 @@ pair_coeff 2 2 1.0 2.0 2.24
pair_coeff 3 3 1.0 1.5 1.68 pair_coeff 3 3 1.0 1.5 1.68
pair_coeff 4 4 0.0 1.0 0.0 pair_coeff 4 4 0.0 1.0 0.0
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big nve fix 1 big nve

2
examples/ASPHERE/star/in.star
View File

@ -24,7 +24,7 @@ pair_coeff 1 2 0.0 0.0
variable prefactor equal ramp(0,60) variable prefactor equal ramp(0,60)
fix soft all adapt 1 pair soft a * * v_prefactor fix soft all adapt 1 pair soft a * * v_prefactor
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big rigid molecule fix 1 big rigid molecule

2
examples/ASPHERE/star/in.star.mp
View File

@ -24,7 +24,7 @@ pair_coeff 1 2 0.0 0.0
variable prefactor equal ramp(0,60) variable prefactor equal ramp(0,60)
fix soft all adapt 1 pair soft a * * v_prefactor fix soft all adapt 1 pair soft a * * v_prefactor
neighbor 0.3 multi neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes neigh_modify delay 0 every 1 check yes
fix 1 big rigid molecule fix 1 big rigid molecule