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ASCI with SYMMETRY
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1
|
557
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January 30, 2023
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Crash reporter still active?
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2
|
537
|
January 30, 2023
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Spin-flip EOM discontinuities
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2
|
812
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January 19, 2023
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Could not open driver file in ReadDriverFromDisk
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1
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735
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January 18, 2023
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Dummy atom and pes_scan
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5
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831
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January 14, 2023
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Stand-alone QM/MM using CHARMM parameters
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3
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800
|
January 13, 2023
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RASCI calcualtion will crash with large active space, is it possible to solve?
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1
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680
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January 12, 2023
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What's the meaning of Colinear Bend Constraint
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10
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1276
|
January 10, 2023
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Frequency calculation not completing
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3
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1073
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January 7, 2023
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Seam ponit only
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1
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830
|
December 29, 2022
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Optimization problem in mecp
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1
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904
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December 25, 2022
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Negative frequency in excited state TDDFT calculation
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4
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1219
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December 22, 2022
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Error in dyson orbital calculation of CH3O anion
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1
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689
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December 22, 2022
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Mecp at ccsd level
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1
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614
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December 21, 2022
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How to enhance iteration
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1
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738
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December 19, 2022
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Interpretation of NTO's for SF-TD-DFT
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3
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1161
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December 17, 2022
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Convergence failure in mecp
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1
|
690
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December 17, 2022
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Terminate called after throwing an instance of 'std::runtime_error'
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4
|
3338
|
December 13, 2022
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How to calculate electron transfer between solute and solvent
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3
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694
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December 13, 2022
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Calculate freq for mecp structures
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3
|
918
|
December 11, 2022
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Error: Post-HF gradients are not available with implicit solvent models
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1
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650
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December 11, 2022
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Anharmonic Partial Hessian Vibrational Analysis
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2
|
787
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December 6, 2022
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Keyword EXCHANGE is uninitialized in rem vector
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10
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1203
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December 6, 2022
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Imaginary RPA root
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5
|
1474
|
December 6, 2022
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Symmetry change at frequency calculations
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6
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1189
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December 6, 2022
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Question about branching plane updating algorithm
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0
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595
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December 3, 2022
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Ordering of ASCI coefficients
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0
|
526
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December 1, 2022
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File name length problem?
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1
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763
|
November 30, 2022
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NMR calculation for only 1 type of atom
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|
5
|
866
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November 30, 2022
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Core dumped in q-chem run
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4
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1660
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November 29, 2022
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