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Is Nucleus-field progress useful to chemists?
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5
|
959
|
February 1, 2023
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|
ASCI with SYMMETRY
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1
|
632
|
January 30, 2023
|
|
Crash reporter still active?
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|
2
|
639
|
January 30, 2023
|
|
Spin-flip EOM discontinuities
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2
|
943
|
January 19, 2023
|
|
Could not open driver file in ReadDriverFromDisk
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1
|
812
|
January 18, 2023
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Dummy atom and pes_scan
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5
|
958
|
January 14, 2023
|
|
Stand-alone QM/MM using CHARMM parameters
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3
|
913
|
January 13, 2023
|
|
RASCI calcualtion will crash with large active space, is it possible to solve?
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1
|
756
|
January 12, 2023
|
|
What's the meaning of Colinear Bend Constraint
|
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10
|
1483
|
January 10, 2023
|
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Frequency calculation not completing
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3
|
1204
|
January 7, 2023
|
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Seam ponit only
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|
1
|
898
|
December 29, 2022
|
|
Optimization problem in mecp
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|
1
|
982
|
December 25, 2022
|
|
Negative frequency in excited state TDDFT calculation
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|
4
|
1368
|
December 22, 2022
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Error in dyson orbital calculation of CH3O anion
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|
1
|
772
|
December 22, 2022
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|
Mecp at ccsd level
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1
|
689
|
December 21, 2022
|
|
How to enhance iteration
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1
|
800
|
December 19, 2022
|
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Interpretation of NTO's for SF-TD-DFT
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3
|
1280
|
December 17, 2022
|
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Convergence failure in mecp
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|
1
|
767
|
December 17, 2022
|
|
Terminate called after throwing an instance of 'std::runtime_error'
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4
|
3494
|
December 13, 2022
|
|
How to calculate electron transfer between solute and solvent
|
|
3
|
795
|
December 13, 2022
|
|
Calculate freq for mecp structures
|
|
3
|
1041
|
December 11, 2022
|
|
Error: Post-HF gradients are not available with implicit solvent models
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|
1
|
734
|
December 11, 2022
|
|
Anharmonic Partial Hessian Vibrational Analysis
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|
2
|
893
|
December 6, 2022
|
|
Keyword EXCHANGE is uninitialized in rem vector
|
|
10
|
1356
|
December 6, 2022
|
|
Imaginary RPA root
|
|
5
|
1611
|
December 6, 2022
|
|
Symmetry change at frequency calculations
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|
6
|
1436
|
December 6, 2022
|
|
Question about branching plane updating algorithm
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|
0
|
664
|
December 3, 2022
|
|
Ordering of ASCI coefficients
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|
0
|
595
|
December 1, 2022
|
|
File name length problem?
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|
1
|
885
|
November 30, 2022
|
|
NMR calculation for only 1 type of atom
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|
5
|
974
|
November 30, 2022
|