MolSSI-Education QM_2017_SSS_Team9 issues

MolSSI-Education / QM_2017_SSS_Team9

BSD 3-Clause "New" or "Revised" License

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issues

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proper use of std::shared_ptr<vector<double>>

#24 ashutoshvt closed 7 years ago
0
JK binding

#23 bzhang25 closed 7 years ago
1
conjugate gradient working now

#22 ashutoshvt closed 7 years ago
2
New directory to avoid bugs, use make scf_c++ in new directory to run

#21 TanerTure closed 7 years ago
0
Generate working MP2 and Test_MP2 files

#20 tsmmers1 closed 7 years ago
0
JK as separate module?

#19 bzhang25 opened 7 years ago
1
density fitted JK

#18 bzhang25 closed 7 years ago
0
Plus Operator overload for vector

#17 TanerTure closed 7 years ago
0
blas_exercise with std::vector

#16 ashutoshvt closed 7 years ago
3
added blas_exercise

#15 bzhang25 closed 7 years ago
1
Change RHF module to take correct DIIS function and import diis module

#14 bzhang25 opened 7 years ago
1
JK_RHF

#13 bzhang25 closed 7 years ago
0
SO_Response_RHF

#12 bzhang25 closed 7 years ago
1
CG gradient

#11 bzhang25 closed 7 years ago
0
diis

#10 bzhang25 opened 7 years ago
0
MP2 module

#9 bzhang25 closed 7 years ago
0
RHF module

#8 bzhang25 closed 7 years ago
0
incorporated damping function and corresponding test

#7 bzhang25 closed 7 years ago
1
changed Rhf to RHF as its an acronym + minor changes

#6 ashutoshvt closed 7 years ago
0
Fix travis badge in README.md

#5 bennybp closed 7 years ago
1
Class named "Rhf"

#4 dgasmith closed 7 years ago
1
working rhf module

#3 bzhang25 closed 7 years ago
0
added a .gitignore file

#2 ashutoshvt closed 7 years ago
0
recovery of files

#1 bzhang25 closed 7 years ago
0