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iggedi-ig-ig
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qchem-rs
(in the future, hopefully) a general purpose quantum chemistry program
MIT License
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Add UHF
#8
iggedi-ig-ig
closed
6 months ago
0
Implement efficient scheme for evaluating the Boys Function
#7
iggedi-ig-ig
closed
7 months ago
1
Optimize ERIs
#6
iggedi-ig-ig
opened
7 months ago
0
Implement DIIS
#5
iggedi-ig-ig
closed
5 months ago
0
Implement parsing of JSON Basis set files
#4
iggedi-ig-ig
closed
7 months ago
1
Add basic DFT
#3
iggedi-ig-ig
opened
7 months ago
0
Decide on input file format and implement parsing
#2
iggedi-ig-ig
closed
7 months ago
1
Add basic Hartree-Fock Algorithm
#1
iggedi-ig-ig
closed
7 months ago
2