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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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Ci
#244
scemama
closed
1 year ago
0
Dev stable pt charges
#243
eginer
closed
1 year ago
0
Dev stable tc scf
#242
eginer
closed
1 year ago
0
Issue with print_wf after running CIPSI calculation
#241
bavramidis
closed
1 year ago
3
fix segfault restore_symmetry if all elem > thresh
#240
Ydrnan
closed
1 year ago
0
Dev
#239
scemama
closed
1 year ago
0
Bug correction !!
#238
eginer
closed
1 year ago
0
Dev
#237
eginer
closed
1 year ago
0
fix warning
#236
Ydrnan
closed
1 year ago
0
Optimisation HTC matrix elements
#235
eginer
closed
1 year ago
0
added the possibility of point charges in the Hamiltonian
#234
eginer
closed
1 year ago
0
bugfix in restore_symmetry
#233
Ydrnan
closed
1 year ago
1
avoid uninitialized phase in get_excitation
#232
Ydrnan
closed
1 year ago
0
fast restore symmetry
#231
Ydrnan
closed
1 year ago
0
clean fork with + TC stuffs
#230
AbdAmmar
closed
1 year ago
0
SCF energy
#229
abigcoder04
closed
1 year ago
1
fix csf
#228
Ydrnan
closed
1 year ago
2
typo doc rohf
#227
Ydrnan
closed
1 year ago
0
ocaml 4.11 in qp2-dependencies incompatible with glibc>=2.34
#226
kgasperich
closed
1 year ago
1
Good dev tc
#225
scemama
closed
1 year ago
0
Software packaging problems
#224
abigcoder04
closed
1 year ago
13
Change coupling parameters ROHF
#223
Ydrnan
closed
2 years ago
0
Fix iand csf
#222
v1j4y
closed
1 year ago
0
./configure -c config/gfortran_mpi.cfg
#221
abigcoder04
closed
1 year ago
4
Localization + trust region
#220
Ydrnan
closed
2 years ago
4
Fix csf merge
#219
v1j4y
closed
2 years ago
1
2 by 2 diag
#218
Ydrnan
closed
2 years ago
0
/bin/qp_mpirun
#217
abigcoder04
closed
1 year ago
0
Merge pull request #2 from QuantumPackage/dev-tc
#216
eginer
closed
2 years ago
0
Merging with Abdallah for new jastrow
#215
eginer
closed
2 years ago
0
Test case script
#214
abigcoder04
closed
2 years ago
1
How to execute multiple test cases at the same time
#213
abigcoder04
closed
2 years ago
5
Makefile contents
#212
abigcoder04
closed
2 years ago
5
modif from Abdallah
#211
eginer
closed
2 years ago
0
Cleaning dft
#210
eginer
closed
2 years ago
0
Dev
#209
eginer
closed
2 years ago
0
CSF-CI Open-Shell debugging
#208
v1j4y
closed
2 years ago
0
au to Debye , update cisd
#207
Ydrnan
closed
2 years ago
0
update au to eV
#206
Ydrnan
closed
2 years ago
0
fix bug save_wavefunction_general
#205
Ydrnan
closed
2 years ago
0
duplication of N_det in OMP section
#204
Ydrnan
closed
2 years ago
0
another useless bitstring_to_list
#203
Ydrnan
closed
2 years ago
0
update binom_func to avoid .999...
#202
Ydrnan
closed
2 years ago
0
update i_H_j
#201
Ydrnan
closed
2 years ago
0
update h5 converter to reduce memory use
#200
kgasperich
closed
2 years ago
0
Dev
#199
scemama
closed
2 years ago
0
Dev
#198
kossoski
closed
2 years ago
0
fix error pt2
#197
Ydrnan
closed
2 years ago
0
fix error pt2 from det already in the wf
#196
Ydrnan
closed
2 years ago
0
Fix psi_det_size
#195
Ydrnan
closed
2 years ago
0
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