ICODE-ADC/lammps
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whitespace, pointer initializer, and permission fixes

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This commit is contained in:
Axel Kohlmeyer
2021-10-13 19:17:42 -04:00
parent f206eab338
commit 660bced187
5 changed files with 13 additions and 13 deletions
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0
examples/mc/data.bead Executable file → Normal file
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6
examples/mc/in.mixed Executable file → Normal file
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@ -13,7 +13,7 @@ neigh_modify delay 0
pair_style lj/cut 1.1224620483
bond_style fene
angle_style cosine
special_bonds lj 0.0 1.0 1.0
special_bonds lj 0.0 1.0 1.0
read_data data.bead
@ -21,7 +21,7 @@ pair_coeff * * 1.0 1.0 1.1224620483
pair_coeff 1 2 1.02 1.0 1.1224620483
bond_coeff 1 30.0 1.5 1.0 1.0
angle_coeff 1 1.500
pair_modify shift yes
pair_modify shift yes
variable vt1 atom type==1
variable vt2 atom type==2
@ -30,7 +30,7 @@ group g2 dynamic all var vt2 every 100
variable count1 equal count(g1)
variable count2 equal count(g2)
timestep 0.010
timestep 0.010
fix 1 all langevin 1.0 1.0 100.0 702547
fix 2 all nve

6
examples/mc/in.pure Executable file → Normal file
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@ -13,7 +13,7 @@ neigh_modify delay 0
pair_style lj/cut 1.1224620483
bond_style fene
angle_style cosine
special_bonds lj 0.0 1.0 1.0
special_bonds lj 0.0 1.0 1.0
read_data data.bead
@ -21,7 +21,7 @@ pair_coeff * * 1.0 1.0 1.1224620483
pair_coeff 1 2 1.1 1.0 1.1224620483
bond_coeff 1 30.0 1.5 1.0 1.0
angle_coeff 1 1.500
pair_modify shift yes
pair_modify shift yes
variable vt1 atom type==1
variable vt2 atom type==2
@ -30,7 +30,7 @@ group g2 dynamic all var vt2 every 100
variable count1 equal count(g1)
variable count2 equal count(g2)
timestep 0.010
timestep 0.010
fix 1 all langevin 1.0 1.0 100.0 702547
fix 2 all nve

2
src/MC/fix_mol_swap.cpp
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@ -40,7 +40,7 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixMolSwap::FixMolSwap(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg), random(nullptr), c_pe(nullptr)
{
if (narg < 9) error->all(FLERR,"Illegal fix mol/swap command");