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QuantumPackage
/
qp2
Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
GNU Affero General Public License v3.0
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Typo qpsh.rst
#348
Ydrnan
closed
1 week ago
0
add maximum overlap method in hartree fock
#347
antoine-marie
closed
2 weeks ago
0
Dev stable
#346
eginer
closed
3 weeks ago
0
fix transition numbering
#345
Ydrnan
closed
1 month ago
0
Dev stable
#344
AbdAmmar
closed
1 month ago
0
Dev stable
#343
AbdAmmar
closed
1 month ago
0
[work-in-progress] possible issue with multi-node cipsi using ORMAS?
#342
kgasperich
opened
1 month ago
0
Dev spher harm
#337
eginer
closed
4 months ago
0
Dev stable
#336
eginer
closed
4 months ago
0
Put the .cfg file in the buil.ninja locally in all plugins :)
#328
eginer
opened
5 months ago
0
Dev stable
#327
eginer
closed
5 months ago
0
bugfix davidson recontraction + update
#326
Ydrnan
closed
6 months ago
0
state following
#325
Ydrnan
closed
6 months ago
0
Added the first tutorial for plugins
#324
eginer
closed
6 months ago
0
ORMAS implementation
#323
kgasperich
closed
6 months ago
2
qp edit feature request
#322
addman2
closed
6 months ago
1
Dev stable
#321
eginer
closed
7 months ago
0
Dev stable
#320
eginer
closed
7 months ago
0
orbital optimization crash with memory issue.
#319
anbenali
closed
7 months ago
2
Update README.md
#318
scemama
closed
8 months ago
0
Dev stable
#317
AbdAmmar
closed
8 months ago
0
mkl with gfortran
#316
Ydrnan
closed
8 months ago
0
Dev stable
#315
AbdAmmar
closed
8 months ago
0
Improved AosxAos representations of 1e-Jastrow
#314
AbdAmmar
closed
8 months ago
0
Dev stable
#313
AbdAmmar
closed
8 months ago
0
Issues Installing Quantum Package Using zsh Shell
#312
djstaros
closed
8 months ago
2
Problems with qp run diagonalize_h
#311
Navihdz
closed
10 months ago
3
Make many modules optional
#310
scemama
closed
11 months ago
0
Dev stable
#309
scemama
closed
11 months ago
0
Merge pull request #307 from QuantumPackage/dev-stable
#308
scemama
closed
10 months ago
0
Dev stable
#307
scemama
closed
11 months ago
0
QP2 singularity running in parallel (OpenMPI) on multiple nodes
#306
bavramidis
closed
10 months ago
4
Dev stable tc scf
#305
AbdAmmar
closed
1 year ago
0
fix bug restore_symmetry
#304
Ydrnan
closed
1 year ago
0
Dev stable tc scf
#303
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#302
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#301
AbdAmmar
closed
1 year ago
0
fix typo
#300
Ydrnan
closed
1 year ago
0
Ninja: build stopped: subcommand failed
#299
Chikakoyanagida
closed
1 year ago
2
fix binary search (T)
#298
Ydrnan
closed
1 year ago
0
Dev stable
#297
scemama
closed
11 months ago
0
fix bug in get_excitation_general
#296
Ydrnan
closed
1 year ago
0
Type mismatch
#295
scemama
closed
1 year ago
1
Improved I/O in CCSD
#294
scemama
closed
1 year ago
0
Dev stable
#293
eginer
closed
1 year ago
0
update ROHF F matrix with gamess parametrization
#292
Ydrnan
closed
1 year ago
0
update ROHF F matrix with gamess parametrization
#291
Ydrnan
closed
1 year ago
0
Dev stable tc scf
#290
AbdAmmar
closed
1 year ago
0
Improve 5idx
#289
eginer
closed
1 year ago
0
Dev stable
#288
eginer
closed
1 year ago
0
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