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[WIP] Add fix cboamd for cavity Born-Oppenheimer MD #4972

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[WIP] Add fix cboamd for cavity Born-Oppenheimer MD #4972

Merge branch 'deepmodeling:master' into cboamd
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GitHub Advanced Security / CodeQL failed Jan 30, 2026 in 2s

8 new alerts including 1 high severity security vulnerability

New alerts in code changed by this pull request

Security Alerts:

  • 1 high
  • 1 medium

Other Alerts:

  • 6 notes

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Annotations

Check failure on line 190 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

File created without restricting permissions High

A file may be created here with mode 0666, which would make it world-writable.

Check warning on line 622 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Too few arguments to formatting function Medium

Format for fprintf expects 15 arguments but given 14

Check notice on line 157 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.

Check notice on line 271 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.

Check notice on line 275 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.

Check notice on line 303 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.

Check notice on line 308 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.

Check notice on line 531 in source/lmp/fix_cboamd.cpp

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Code scanning / CodeQL

Commented-out code Note

This comment appears to contain commented-out code.