Commit JT 072619

- added a min_style option for norm type (euclidean or Max)
- adapted and tested spin minimizers
- adapted (net tested) regular minimizers
This commit is contained in:
julient31
2019-07-26 17:33:49 -06:00
parent 883f6d1e8d
commit c5b7a36eeb
13 changed files with 266 additions and 258 deletions

View File

@ -20,6 +20,7 @@
#include <cmath>
#include <cstring>
#include "atom.h"
#include "error.h"
#include "fix_minimize.h"
#include "min_hftn.h"
#include "modify.h"
@ -111,6 +112,9 @@ void MinHFTN::init()
{
Min::init();
if (normstyle == 1)
error->all(FLERR,"Incorrect min_modify option");
for (int i = 1; i < NUM_HFTN_ATOM_BASED_VECTORS; i++) {
if (_daExtraGlobal[i] != NULL)
delete [] _daExtraGlobal[i];