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FISAPT0 Unable to find a basis set
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6
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262
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June 13, 2024
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How does Psi4 build portable packages?
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2
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145
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June 11, 2024
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Convergence error when using Arkane with Pis4
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4
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139
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June 10, 2024
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Use old Psi4 Version
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2
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276
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June 10, 2024
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Partition electron density and visualize cube file
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0
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120
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June 4, 2024
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When computing potential integrals
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4
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127
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June 4, 2024
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How to make geometry relaxation robuts?
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0
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97
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May 31, 2024
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Process Killed when running calculation on molecule with 148 atoms using wB97M-D3BJ/def2-TZVPPD
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4
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252
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May 31, 2024
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Module Not Found Error when Trying to Import psi4_losc
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5
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298
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May 29, 2024
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PWPB95-D3BJ2B - segmentation fault
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0
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161
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May 29, 2024
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Incorrect optimized structures
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5
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229
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May 29, 2024
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Dependency error when installing psi4 in a fresh conda environment
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8
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791
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May 29, 2024
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Which B97 is which?
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2
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534
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May 28, 2024
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Install issues with 1.9.1
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1
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313
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May 16, 2024
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Units for electric field in Psi4
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0
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183
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May 9, 2024
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Failed to build psi4 from source using conda on MacOS silicon
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4
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295
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May 7, 2024
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Continuing after failed geometry optimization
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2
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1316
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May 3, 2024
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Fast computation of electrostatic potential on grid
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6
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1724
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July 1, 2024
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Build failing - "Property 'VENDOR' is not allowed."
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3
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203
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May 1, 2024
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Optimize With Distance Constraint
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3
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238
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May 1, 2024
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SAPT electrostatics concerns
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1
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260
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April 29, 2024
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Limit output of orbital energies?
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1
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141
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April 24, 2024
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Convergence of Geom opt + frozen dihedral
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1
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228
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April 19, 2024
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Unit of polarizability and meaning of the value
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4
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458
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April 19, 2024
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Perturb_dipole ? to change electric filed applied for a moleclue
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2
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224
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April 16, 2024
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A,B, and C Dipole Moments
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0
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186
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April 12, 2024
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Generating cube files for density
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3
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266
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April 8, 2024
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Defining the origin of a cube file
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0
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261
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March 27, 2024
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CCEOM can find root energies by irrep in C2v but not in Cs
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3
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290
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March 21, 2024
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LDA potential in real space: should be diagonal?
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3
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204
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March 21, 2024
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