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This commit is contained in:
Axel Kohlmeyer
2023-03-13 19:43:44 -04:00
parent 3ba37fc954
commit ef67f790a2
2 changed files with 2 additions and 2 deletions
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2
src/EXTRA-MOLECULE/bond_harmonic_restrain.cpp
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@ -176,7 +176,7 @@ void BondHarmonicRestrain::init_style()
// after a restart, natoms is set but initial is a null pointer. // after a restart, natoms is set but initial is a null pointer.
// we add the fix, but do not initialize it. It will pull the data from the restart. // we add the fix, but do not initialize it. It will pull the data from the restart.
if (!initial) { if (!initial) {
initial = dynamic_cast<FixStorePeratom *>( initial = dynamic_cast<FixStorePeratom *>(
modify->add_fix("BOND_RESTRAIN_X0 all STORE/PERATOM 3 0 1 1")); modify->add_fix("BOND_RESTRAIN_X0 all STORE/PERATOM 3 0 1 1"));

2
src/fix_store_peratom.h
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@ -54,7 +54,7 @@ class FixStorePeratom : public Fix {
int tensorflag; // 1 if a 3d array (array per atom) int tensorflag; // 1 if a 3d array (array per atom)
int ghostflag; // 0/1 to communicate values with ghost atoms int ghostflag; // 0/1 to communicate values with ghost atoms
int restartflag; // 0/1 to store values in restart files int restartflag; // 0/1 to store values in restart files
int n1, n2; // size of 3d dims of per-atom data struct int n1, n2; // size of 3d dims of per-atom data struct
int nvalues; // number of per-atom values int nvalues; // number of per-atom values
int nbytes; // number of per-atom bytes int nbytes; // number of per-atom bytes