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QuantumPackage
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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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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
Dev stable tc scf
#287
eginer
closed
1 year ago
0
Dev stable
#286
eginer
closed
1 year ago
0
Dev stable tc scf
#285
AbdAmmar
closed
1 year ago
0
Dev stable
#284
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#283
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#282
eginer
closed
1 year ago
0
mo_num -> n_core_inact_act_orb in RDMs
#281
scemama
closed
1 year ago
0
Dev stable tc scf
#280
AbdAmmar
closed
1 year ago
0
fixed bug in TC integrals
#279
eginer
closed
1 year ago
0
added jast 104 & 105
#278
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#277
AbdAmmar
closed
1 year ago
0
OpenSUSE problem
#276
scemama
closed
1 year ago
1
Works on MacOS (M1)
#275
scemama
closed
1 year ago
1
Orbital localization + orbital optimization
#274
Ydrnan
closed
1 year ago
0
Improve thread-safety
#273
scemama
closed
1 year ago
0
Improved qp command
#272
Ydrnan
closed
1 year ago
0
canged h_p to h
#271
eginer
closed
1 year ago
0
Dev stable tc scf
#270
eginer
closed
1 year ago
0
Dev stable
#269
scemama
closed
1 year ago
0
Dev stable tc scf
#268
eginer
closed
1 year ago
0
Dev stable
#267
scemama
closed
1 year ago
0
Dev stable tc scf
#266
eginer
closed
1 year ago
0
Dev stable tc scf
#265
AbdAmmar
closed
1 year ago
0
Dev stable
#264
eginer
closed
1 year ago
0
utils_cc, ccsd, ccsd(t) + tests
#263
Ydrnan
closed
1 year ago
0
fix test cisd
#262
Ydrnan
closed
1 year ago
0
Molecular properties
#261
Ydrnan
closed
1 year ago
0
add one body transition density matrix
#260
Ydrnan
closed
1 year ago
0
Fix cisd
#259
Ydrnan
closed
1 year ago
0
cos x GTOs integ added
#258
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#257
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#256
AbdAmmar
closed
1 year ago
0
Dev stable tc scf
#255
eginer
closed
1 year ago
0
Dev stable
#254
eginer
closed
1 year ago
0
modified the factor two in rdm
#253
eginer
closed
1 year ago
0
Only one convention for TWO-rDM and all factors updated for basis_correction
#252
eginer
closed
1 year ago
0
more efficient restore symmetry
#251
Ydrnan
closed
1 year ago
0
Removed Cryptokit
#250
scemama
closed
1 year ago
0
Removed cryptokit
#249
scemama
closed
1 year ago
0
more efficient restore_symmetry
#248
Ydrnan
closed
1 year ago
0
Dev stable
#247
eginer
closed
1 year ago
0
Fixed HCore guess with spherical MOs
#246
scemama
closed
1 year ago
0
Dev stable tc scf
#245
eginer
closed
1 year ago
0
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