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import multi-element compatible pair style edip as edip/multi

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This commit is contained in:
Axel Kohlmeyer
2017-05-16 17:40:04 -04:00
parent 06c151421c
commit 35e92733e9
18 changed files with 2146 additions and 8 deletions
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5
src/USER-MISC/pair_edip.cpp
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@ -798,6 +798,9 @@ void PairEDIP::coeff(int narg, char **arg)
}
}
if (nelements != 1)
error->all(FLERR,"Pair style edip only supports single element potentials");
// read potential file and initialize potential parameters
read_file(arg[2]);
@ -836,7 +839,7 @@ void PairEDIP::coeff(int narg, char **arg)
void PairEDIP::init_style()
{
if (force->newton_pair == 0)
error->all(FLERR,"Pair style EDIP requires newton pair on");
error->all(FLERR,"Pair style edip requires newton pair on");
// need a full neighbor list