ICODE-ADC/lammps
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Merge branch 'develop' into amoeba-ak

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This commit is contained in:
Axel Kohlmeyer
2022-05-28 05:24:02 -04:00
parent d4904dd5fc e91d1dba98
commit 97fab45f7e
1087 changed files with 121298 additions and 27084 deletions
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11
src/angle.cpp
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@ -33,6 +33,7 @@ Angle::Angle(LAMMPS *_lmp) : Pointers(_lmp)
energy = 0.0;
virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
writedata = 1;
reinitflag = 1;
allocated = 0;
suffix_flag = Suffix::NONE;
@ -76,6 +77,16 @@ void Angle::init()
init_style();
}
/* ----------------------------------------------------------------------
check that there are no arguments
------------------------------------------------------------------------- */
void Angle::settings(int narg, char **args)
{
if (narg > 0)
error->all(FLERR, "Illegal angle_style {} argument: {}", force->angle_style, args[0]);
}
/* ----------------------------------------------------------------------
setup for energy, virial computation
see integrate::ev_set() for bitwise settings of eflag/vflag