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SCF problems! Please Help!
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2
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Uncategorized
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(21)
OEPROP after dropping electron from HOMO
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Uncategorized
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(3)
Issues with FISAPT module in Gold complex calculations
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Uncategorized
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(1)
Duplicate symbol when linking core.so
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build
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(2)
Small bug in Matrix::gemm
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Developer News & Discussion
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(3)
AO2SO and SO2AO transformations, spherical functions
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Uncategorized
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(1)
Problem with building Psi4 of March 4, 2018
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build
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(2)
Error in building psi4 via conda on Ubuntu
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build
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(4)
BasisSetNotFound:
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Uncategorized
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(4)
Using a prebuilt psi4 static binary elsewhere
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build
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(3)
Segmentation faults + symmetry issues
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build
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(8)
How to obtain localized orbitals
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Uncategorized
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(2)
UKS cannot compute VV10 or GRAC corrections?
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Uncategorized
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(8)
Psi4 runtime Python failure
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build
]
(3)
PCMSolver Parallelisation
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feature-request
]
(5)
Problem with running a plugin
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Uncategorized
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(1)
Non-Covalent Interactions - SCF failing for water-oxygen dimer
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Uncategorized
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(3)
Do frequencies dependent on the dertype setting?
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Uncategorized
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(6)
How to obtain the One-electron overlap matrix
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Uncategorized
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(6)
Error in the input: MPWB95
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Uncategorized
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(2)
Merz-Kollman grid point for ESP
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Uncategorized
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(1)
Questions about guess read
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Uncategorized
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(10)
SAPT(DFT) gone?
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Uncategorized
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(4)
SAPT calculation
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Uncategorized
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(2)
Feature Requests for Psi4
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2
)
[
feature-request
]
(29)
Cannot use Pualy's natural coordiantes to optimize geometry
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Uncategorized
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(2)
How to obtain correct HF energy from matrices
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Uncategorized
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(7)
How to insert MPWB95 data into sapt?
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Uncategorized
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(1)
How to obtain the Hartree Fock Coulomb and Exchange Matrix
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Uncategorized
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(4)
F-SAPT analysis on transition states
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Uncategorized
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(13)
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