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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
Showing page 13 of 169
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Updated makefiles in Validate directory.
Nicolas Bock
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almost 16 years ago
Adding tests in Optimization.
Nicolas Bock
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almost 16 years ago
Added comments to parseTestResults.py.
Nicolas Bock
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almost 16 years ago
Fixed distcheck target.
Nicolas Bock
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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
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almost 16 years ago
Added more tests.
Nicolas Bock
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almost 16 years ago
Adding proper distcheck target.
Nicolas Bock
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almost 16 years ago
Adding m4 directory.
Nicolas Bock
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almost 16 years ago
Regression test template.
Nicolas Bock
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almost 16 years ago
Adding basic template of regression tests.
Nicolas Bock
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almost 16 years ago
Trying to fix a segfault with intel.
Nicolas Bock
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almost 16 years ago
Conjugate gradient now works somewhat.
Nicolas Bock
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almost 16 years ago
Another small modification in the Conjugate Gradient.
Nicolas Bock
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almost 16 years ago
A little modification in the conjugate gradient function.
Nicolas Bock
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almost 16 years ago
Removed hardcoded path option from NEB.
Nicolas Bock
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almost 16 years ago
Fixed a segfault in FBuild.f90
Nicolas Bock
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almost 16 years ago
Added input option for clones along reaction path.
Nicolas Bock
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almost 16 years ago
Added 3-21G*-SPLIT to parsing of basis sets.
Nicolas Bock
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almost 16 years ago
Enable hardcoded NEB path in configure script.
Nicolas Bock
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almost 16 years ago
In case we call a compiler with a path in front of the binary.
Nicolas Bock
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almost 16 years ago
Fixed for gcc 4.4.x series.
Nicolas Bock
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almost 16 years ago
Changed some more #ifdef statements for PARALLEL_CLONES
Nicolas Bock
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almost 16 years ago
Added option to only parallelize across clones.
Nicolas Bock
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almost 16 years ago
Updated PostRecv77 and PostSend77.
Nicolas Bock
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almost 16 years ago
Fixed compilation of Modules with MPI.
Nicolas Bock
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almost 16 years ago
Added option for compilername detection
Nicolas Bock
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almost 16 years ago
Increase for large systems.
Nicolas Bock
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almost 16 years ago
Changed MondoMods to Modules.
Nicolas Bock
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almost 16 years ago
Added basis set key to 6-31G*-SPLIT.
Nicolas Bock
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almost 16 years ago
Added ctags to makefile.
Nicolas Bock
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almost 16 years ago
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