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show use of Domain::minimum_image_big() in second example block

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Axel Kohlmeyer
2025-05-31 23:36:36 -04:00
parent ed535e5301
commit 17ed72f99b
1 changed files with 2 additions and 2 deletions
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doc/src/Developer_updating.rst
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@ -635,7 +635,7 @@ Old:
double delx2 = x[i3][0] - x[i2][0]; double delx2 = x[i3][0] - x[i2][0];
double dely2 = x[i3][1] - x[i2][1]; double dely2 = x[i3][1] - x[i2][1];
double delz2 = x[i3][2] - x[i2][2]; double delz2 = x[i3][2] - x[i2][2];
domain->minimum_image(delx2, dely2, delz2); domain->minimum_image_big(delx2, dely2, delz2);
double r2 = sqrt(delx2 * delx2 + dely2 * dely2 + delz2 * delz2); double r2 = sqrt(delx2 * delx2 + dely2 * dely2 + delz2 * delz2);
New: New:
@ -651,7 +651,7 @@ New:
double delx2 = x[i3][0] - x[i2][0]; double delx2 = x[i3][0] - x[i2][0];
double dely2 = x[i3][1] - x[i2][1]; double dely2 = x[i3][1] - x[i2][1];
double delz2 = x[i3][2] - x[i2][2]; double delz2 = x[i3][2] - x[i2][2];
domain->minimum_image(FLERR, delx2, dely2, delz2); domain->minimum_image_big(FLERR, delx2, dely2, delz2);
double r2 = sqrt(delx2 * delx2 + dely2 * dely2 + delz2 * delz2); double r2 = sqrt(delx2 * delx2 + dely2 * dely2 + delz2 * delz2);
This change is **required** or else the code will not compile. This change is **required** or else the code will not compile.