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adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh

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This commit is contained in:
Steve Plimpton
2016-10-05 15:46:20 -06:00
parent 030df745bc
commit 02bfa898ee
11 changed files with 40 additions and 31 deletions
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7
src/balance.cpp
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@ -272,7 +272,7 @@ void Balance::command(int narg, char **arg)
// imbinit = initial imbalance
double maxinit;
init_imbalance();
init_imbalance(0);
set_weights();
double imbinit = imbalance_factor(maxinit);
@ -543,12 +543,13 @@ void Balance::weight_storage(char *prefix)
/* ----------------------------------------------------------------------
invoke init() for each Imbalance class
flag = 0 for call from Balance, 1 for call from FixBalance
------------------------------------------------------------------------- */
void Balance::init_imbalance()
void Balance::init_imbalance(int flag)
{
if (!wtflag) return;
for (int n = 0; n < nimbalance; n++) imbalances[n]->init();
for (int n = 0; n < nimbalance; n++) imbalances[n]->init(flag);
}
/* ----------------------------------------------------------------------