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Commits : Listings

Analyzed about 9 hours ago. based on code collected about 9 hours ago.
Sep 02, 2024 — Sep 02, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Updated makefiles in Validate directory. More... almost 16 years ago
Adding tests in Optimization. More... almost 16 years ago
Added comments to parseTestResults.py. More... almost 16 years ago
Fixed distcheck target. More... almost 16 years ago
Finite differences for 2-D far-field lattice forces. Looks like the "numerical integration of 3-D tensors to get the 2-D ones" doesn't work so well (or is messed up, but a bad idea in first place). The quick fix, is numerical firsts. This should be pretty good, since the analytic Lorentz field tensors are now built to very high accuracy using planewise summation, and improved, rebalanced realspace-kspace partintioning. The slow fix is analytic derivatives of planewise scheme.
matcha
as Matt Challacombe
More... almost 16 years ago
Added more tests. More... almost 16 years ago
Adding proper distcheck target. More... almost 16 years ago
Adding m4 directory. More... almost 16 years ago
Regression test template. More... almost 16 years ago
Adding basic template of regression tests. More... almost 16 years ago
Trying to fix a segfault with intel. More... almost 16 years ago
Conjugate gradient now works somewhat. More... almost 16 years ago
Another small modification in the Conjugate Gradient. More... almost 16 years ago
A little modification in the conjugate gradient function. More... almost 16 years ago
Removed hardcoded path option from NEB. More... almost 16 years ago
Fixed a segfault in FBuild.f90 More... almost 16 years ago
Added input option for clones along reaction path. More... almost 16 years ago
Added 3-21G*-SPLIT to parsing of basis sets. More... almost 16 years ago
Enable hardcoded NEB path in configure script. More... almost 16 years ago
In case we call a compiler with a path in front of the binary. More... almost 16 years ago
Fixed for gcc 4.4.x series. More... almost 16 years ago
Changed some more #ifdef statements for PARALLEL_CLONES More... almost 16 years ago
Added option to only parallelize across clones. More... almost 16 years ago
Updated PostRecv77 and PostSend77. More... almost 16 years ago
Fixed compilation of Modules with MPI. More... almost 16 years ago
Added option for compilername detection More... almost 16 years ago
Increase for large systems. More... almost 16 years ago
Changed MondoMods to Modules. More... almost 16 years ago
Added basis set key to 6-31G*-SPLIT. More... almost 16 years ago
Added ctags to makefile. More... almost 16 years ago