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Problem when passing a reference wavefunction to DF-CCSD in the' fnocc' module
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7
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April 19, 2019
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PSIO Error during ADC(2)
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4
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April 15, 2019
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Is this statement about the SAPT analysis true?
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11
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April 14, 2019
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sSAPT Scaling term and F-SAPT
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4
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April 12, 2019
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Is there a way to calculate transition dipole moments between excited states?
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2
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April 9, 2019
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F/I SAPT0 problem with three fragments
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2
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April 5, 2019
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About SAPT (DFT)
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3
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March 29, 2019
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Open-shell sapt calaculation
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13
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March 27, 2019
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Density grandient and its laplacian
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8
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March 27, 2019
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Numpy.ufunc size change warning
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2
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March 27, 2019
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Is CCSD threading broken in 1.1?
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19
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May 23, 2019
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Self-interaction correction
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4
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March 22, 2019
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Convergence issues for DFT
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7
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March 22, 2019
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wfn.form_H() errors
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3
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March 22, 2019
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RI-MP2/def2-tzvppd convergence issue for calculations with iodide
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29
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May 19, 2019
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Problems with Wavefunction object and fchk() interface
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16
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March 20, 2019
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Orbital localization on a dimer system
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2
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March 20, 2019
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FNO-CCSD(T) for UHF reference
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1
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March 19, 2019
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Confusion About Threading
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5
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March 18, 2019
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How to verify executables from downloads page?
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2
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March 18, 2019
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Is there a solvent model in SAPT0 energy decomposition?
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6
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March 18, 2019
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How to output localized orbitals in cube file format?
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3
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March 17, 2019
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Forces on atoms
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5
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May 15, 2019
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Basis functions evaluation on a user-defined grid
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1
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March 15, 2019
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How to generate the torsion, angle and bond parameters
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2
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March 15, 2019
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Calculate the RESP and AM1-BCC charges of a molecule
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4
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March 14, 2019
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Optimizing (nonstationary) conformations along a manual dihedral angle scan
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9
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March 14, 2019
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How do I prevent Psi from changing my geometry?
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8
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May 8, 2019
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How to tansform densities onto grids?
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3
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March 8, 2019
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How to put the AM1-BCC charges to the input file
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2
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March 8, 2019
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