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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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187
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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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217
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December 24, 2022
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SAPT0 read error
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7
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197
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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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148
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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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118
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October 24, 2022
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Psi4 .xyz reading/writing
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5
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174
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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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111
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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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205
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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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142
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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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111
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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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160
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September 30, 2022
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Too large scratch file
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6
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201
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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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158
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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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335
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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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326
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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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131
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November 23, 2022
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Polarizability Calculation Not Converging
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3
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127
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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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135
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September 20, 2022
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Data to plot XAS spectra from psixas calculations
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0
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123
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September 13, 2022
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Installation issue with psi4 in a Mac to get Forte running
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11
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207
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September 12, 2022
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Creating custom basis set direct from python
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0
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159
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September 8, 2022
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Issue installing psi4 from source
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8
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195
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September 5, 2022
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Calculating INTRAmolecular SAPT
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3
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212
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September 2, 2022
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DFT calculations without density fitting
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1
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126
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August 30, 2022
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**Fatal Error: SCF::DF: Disk based algorithm requires
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6
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1680
|
August 15, 2022
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Defining charge, multiciplity for fragments in FI-SAPT0 calculations
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0
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143
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August 12, 2022
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Permission problem
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1
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134
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August 12, 2022
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Get R amplitudes an in CCEOM
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5
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208
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August 12, 2022
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Fatal Error: PsiOutStream: Failed to open file
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2
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134
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August 9, 2022
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Availability of command line Psi4 scripts
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2
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206
|
August 5, 2022
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