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changes to fixes that use THERMO_ENERGY

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Plimpton
2021-01-21 11:32:11 -07:00
parent f54fd8fa72
commit 182eb35f1a
19 changed files with 151 additions and 157 deletions
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2
src/fix_nh.cpp
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@ -66,6 +66,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) :
global_freq = 1;
extscalar = 1;
extvector = 0;
ecouple_flag = 1;
// default values
@ -632,7 +633,6 @@ int FixNH::setmask()
int mask = 0;
mask |= INITIAL_INTEGRATE;
mask |= FINAL_INTEGRATE;
mask |= THERMO_ENERGY;
mask |= INITIAL_INTEGRATE_RESPA;
mask |= FINAL_INTEGRATE_RESPA;
if (pre_exchange_flag) mask |= PRE_EXCHANGE;