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FROZEN_DISTANCE command - still working?
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11
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721
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March 31, 2023
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Indexing at 0 or 1 for GeomeTRIC integration
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2
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365
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March 30, 2023
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Using existing JK object in psi4numpy
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2
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347
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March 29, 2023
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WFN not saved from a frequency calculation
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0
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344
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March 29, 2023
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Memory/Core effect on reproducing calculations to higher precision
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2
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279
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March 27, 2023
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How to pass an array in Psi4 plugin development?
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1
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284
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March 27, 2023
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Frequency calculation extremely slow
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7
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828
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May 24, 2023
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Error after using pk = Psikit()
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1
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297
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March 24, 2023
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Calculated of energy decomposition with Not converge SCF
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4
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405
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March 20, 2023
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Psi4 cartesian coordinates precision from same starting point geometry
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10
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542
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March 16, 2023
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Vibrational Hamiltonian
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1
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260
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March 16, 2023
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SCF calculations of an optimized geometry is slow to converge
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10
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845
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March 14, 2023
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SAPT0, open-shell and closed-shell intermolecular interaction; DFHelper:get tensor:read error
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3
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403
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March 11, 2023
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Modified cc-pv5z basis set in PSI4?
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3
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302
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March 7, 2023
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"Maximum dynamic_level reached"
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7
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1753
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February 27, 2023
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Integral transformation using abelian symmetry
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3
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296
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February 25, 2023
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More detailed explanation of guess_mix
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7
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666
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April 25, 2023
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SCF iterations do not converge in water - Zn2+ system
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3
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448
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February 24, 2023
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Frequency calculation on an optimized geometry + thermodynamic analysis
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5
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562
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February 22, 2023
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GDMA problem: "CC" density not found
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0
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280
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February 17, 2023
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Reallocation of matrix object 'Ca' with new matrix of different dimension
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3
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278
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February 15, 2023
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Error with Pb scf calculation
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8
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905
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February 9, 2023
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Constraining spins to an atom
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12
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525
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February 3, 2023
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Problem with Psi4 installation
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1
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456
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January 25, 2023
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Different energies and much longer time for DKH2 comparing with molpro
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6
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540
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March 26, 2023
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Psi4 exitfunctions error messages at the end of multi-step parallel calculation
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3
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472
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January 23, 2023
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Lmax_exceeded error for optimizing single Zinc ion
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5
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614
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January 22, 2023
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FIXED_DIHEDRAL is not a valid option
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5
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719
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January 20, 2023
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Forrtl: severe (174): SIGSEGV, segmentation fault occurred when calculating DFT energy
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11
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767
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January 20, 2023
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Silence output files from psi4 as python module
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3
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591
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January 18, 2023
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