Skip to content

Implemented torsion and VdW energy terms

GitHub Advanced Security / CodeQL succeeded Feb 9, 2025 in 3s

4 new alerts

New alerts in code changed by this pull request

  • 4 notes

See annotations below for details.

View all branch alerts.

Annotations

Check notice on line 139 in avogadro/calc/uff.cpp

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note

Variable charge is not used.

Check notice on line 181 in avogadro/calc/uff.cpp

See this annotation in the file changed.

Code scanning / CodeQL

For loop variable changed in body Note

Loop counters should not be modified in the body of the
loop
Loading
.

Check notice on line 496 in avogadro/calc/uff.cpp

See this annotation in the file changed.

Code scanning / CodeQL

Unused local variable Note

Variable kijkl is not used.

Check notice on line 38 in avogadro/calc/uff.h

See this annotation in the file changed.

Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.