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Commits : Listings

Analyzed 1 day ago. based on code collected 1 day ago.
Aug 19, 2024 — Aug 19, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Merge branch 'anders' into nick More... over 16 years ago
New 2nd order trace correcting algorithm TC2... More... over 16 years ago
Removed some trailing whitespaces. More... over 16 years ago
Added a utility script to remove trailing whitespace. More... over 16 years ago
Added some output when reading internals. More... over 16 years ago
When printing <SCF>, print Hartree and eV. More... over 16 years ago
Version bump. More... over 16 years ago
Fixed some bugs in parsing internals for the optimizer. More... over 16 years ago
Fixed small but when reading geometries. More... over 16 years ago
Version bump. More... over 16 years ago
Added compiler flags used in output. More... over 16 years ago
Cleaned up more output. More... over 16 years ago
Cleaned up output in Optimizer. More... over 16 years ago
Added depcheck target to toplevel. More... over 16 years ago
Changed flying ice cube correction for symplectic. More... over 16 years ago
Version bump. More... over 16 years ago
Apply flying ice cube correction only in the case of unconstrained atoms. More... over 16 years ago
Tuned down output for MinDebug. More... over 16 years ago
Fixed coefficients for TRBO methods. More... over 16 years ago
Removed all SYSTEM() calls. More... over 16 years ago
Fixed variable initialization error for dynamics. More... over 16 years ago
Version bump. More... over 16 years ago
Fixed small bug in configure.ac More... over 16 years ago
Version bump. More... over 16 years ago
Added more information to xyz output. More... over 16 years ago
Tightening forces.
matcha
as Matt Challacombe
More... over 16 years ago
Version bump. More... over 16 years ago
Another localversion fix. More... over 16 years ago
We need to print out the total energy in MD simulations. More... over 16 years ago
Increased width of log tag. More... over 16 years ago