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aquarius-chem

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Analyzed about 4 hours ago. based on code collected about 4 hours ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Sep 11, 2024 — Sep 11, 2025 Showing page 13 of 14 Search / Filter on:
AO-MO transformation debugged in parallel	Devin Matthews	More...				over 12 years ago
Non-Cholesky AO-MO transformation nominally finished	Devin Matthews	More...				over 12 years ago
CCSDT works	Devin Matthews	More...				over 12 years ago
Fixed yet another issue with multiple using declarations	Devin Matthews	More...				over 12 years ago
CCSDT almost working	Devin Matthews	More...				over 12 years ago
Added most basis sets from EMSL	Devin Matthews	More...				over 12 years ago
Fixed bug with multiple "using" statements	Devin Matthews	More...				over 12 years ago
Major reorganization of the tensor heirarchy	Devin Matthews	More...				over 12 years ago
More fixes	Devin Matthews	More...				over 12 years ago
Fix for compilers which don't understand "using typename ..."	Devin Matthews	More...				over 12 years ago
Fixed numerous errors from -std=c++98	Devin Matthews	More...				over 12 years ago
T, T^X, Xbar have no constant component	Devin Matthews	More...				over 12 years ago
Fixed default target in config.mk.template	Devin Matthews	More...				over 12 years ago
Major restructure	Devin Matthews	More...				over 12 years ago
Lambda-CCSD works.	Devin Matthews	More...				over 12 years ago
Fixed stupid bug where uhf.S2() was only called on node 0.	Devin Matthews	More...				over 12 years ago
Added sequential alternative to Elemental	Devin Matthews	More...				over 12 years ago
Fixed incorrect parameter to MPI_Allgather	Devin Matthews	More...				over 12 years ago
Added missing inline declaration to scalar<DenseTensor> and scalar<PackedTensor>	Devin Matthews	More...				over 12 years ago
Removed friend scalar<> declarations and changed members to public in IndexedTensor, IndexedTensorMult	Devin Matthews	More...				over 12 years ago
Moved libtensor and DistTensor interface in AQUARIUS	Devin Matthews	More...				over 12 years ago
Added more robust method to detect external library dependencies	Devin Matthews	More...				over 12 years ago
License fix	Devin Matthews	More...				over 12 years ago
Changed default C compiler to mpicc	Devin Matthews	More...				over 12 years ago
Merge branch 'master' of https://code.google.com/p/aquarius-chem	Devin Matthews	More...				over 12 years ago
spinorbital.hpp stored beta as vector<int> instead of vector<double>	Devin Matthews	More...				over 12 years ago
Fixed iterative.hpp: stopped one iteration too early when reaching max_iterations limit	Devin Matthews	More...				over 12 years ago
Added dependency on external static libraries (CyclopsTF, Elemental) for executables	Devin Matthews	More...				over 12 years ago
Fixed Spinorbital to conform to expectations of DIIS	Devin Matthews	More...				over 12 years ago
Added a couple of missing std::'s	Devin Matthews	More...				over 12 years ago

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