Commit JT 072619
- added a min_style option for norm type (euclidean or Max) - adapted and tested spin minimizers - adapted (net tested) regular minimizers
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@ -20,6 +20,7 @@
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#include <cmath>
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#include <cstring>
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#include "atom.h"
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#include "error.h"
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#include "fix_minimize.h"
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#include "min_hftn.h"
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#include "modify.h"
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@ -111,6 +112,9 @@ void MinHFTN::init()
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{
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Min::init();
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if (normstyle == 1)
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error->all(FLERR,"Incorrect min_modify option");
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for (int i = 1; i < NUM_HFTN_ATOM_BASED_VECTORS; i++) {
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if (_daExtraGlobal[i] != NULL)
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delete [] _daExtraGlobal[i];
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