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Math libraries for AMD CPUs in Psi4
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2
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71
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December 12, 2022
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Running Psi4 as executable vs python module?
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2
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63
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December 11, 2022
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Psi4 1.5/psi4 1.0
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0
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72
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November 28, 2022
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Enforcing Symmetry for Dissociated Molecules
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5
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132
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November 11, 2022
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Different definitions of GRAC shift in the manual and other sources
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0
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78
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November 4, 2022
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Is my setting of parallelization correct?
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2
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126
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November 2, 2022
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Psi4 Optking logging to chosen output files
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4
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100
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November 2, 2022
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Installing Psi4 on Windows 10 - The file input.dat does not exist
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5
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112
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November 1, 2022
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Is that possible to decontract user defined basis set automatically?
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2
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87
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November 1, 2022
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Psi4 installation
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14
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1127
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October 28, 2022
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Atom indexes of density matrix
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2
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132
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October 28, 2022
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Accuracies for uncontracted vs larger-zeta auxillary basis in two-component calculations
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2
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97
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October 26, 2022
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User-defined basis in two-component calculations leads to "'NoneType' object has no attribute 'lower' "
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6
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125
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December 25, 2022
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How to print out basis set information?
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3
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152
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December 24, 2022
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SAPT0 read error
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7
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153
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October 24, 2022
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Are the calculated wavefunctions normalized?
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8
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99
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December 23, 2022
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How to get TDSCF's wavefunction?
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3
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90
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October 24, 2022
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Psi4 .xyz reading/writing
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5
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125
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October 18, 2022
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Installation AM8 - Error finding Libint2 - CMake libdl no match DL
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3
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81
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October 13, 2022
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How can I simulate VCD spectra at DFT level?
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8
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168
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October 7, 2022
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Unable to install psi4 on windows
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1
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99
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October 5, 2022
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Unable to silence auxiliary prints in psi4.driver.energy
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2
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76
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October 2, 2022
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Setting DFT integration grid based on atom identity
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5
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120
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September 30, 2022
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Too large scratch file
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6
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152
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September 28, 2022
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SAPT EDA Memory Error (Suuplied memory less than required memory)
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1
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115
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September 27, 2022
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Sapt0 for a open-shell system (uhf) occur error
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1
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263
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September 27, 2022
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How to obtain the solid formation of atomic orbitals
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19
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237
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September 26, 2022
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Is that possible to turn off density fitting in MP2 calculation?
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3
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98
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November 23, 2022
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Polarizability Calculation Not Converging
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3
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89
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September 20, 2022
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Starting new run from previous step
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4
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109
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September 20, 2022
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