|
Molden Orbital Rotation Issue
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5
|
May 7, 2019
|
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Input coordinate units problem
|
3
|
May 6, 2019
|
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OpenMP library linking problem
|
4
|
May 6, 2019
|
|
Thermodynamic analysis for weakly bound complexes
|
4
|
May 3, 2019
|
|
State-Averaged CASSCF with Symmetry
|
4
|
May 2, 2019
|
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Generate SAD guess with PSI4
|
3
|
May 2, 2019
|
|
SAPT(DFT) wB97X-V Error
|
7
|
May 2, 2019
|
|
Interaction between transition metal and waters
|
3
|
May 2, 2019
|
|
Save orbitals and restart SCF
|
2
|
April 29, 2019
|
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Trouble with optimize function, cbs extrapolation and CFOUR
|
12
|
April 27, 2019
|
|
How to restart a killed CBS job in PSI4?
|
3
|
April 26, 2019
|
|
External potential in FISAPT module
|
2
|
April 26, 2019
|
|
Cube file from arbitrary density matrix
|
3
|
April 25, 2019
|
|
Num_frozen_uocc not picked up by Python API
|
3
|
April 24, 2019
|
|
B3LYP geoopt crash
|
5
|
April 24, 2019
|
|
Problem when passing a reference wavefunction to DF-CCSD in the' fnocc' module
|
7
|
April 19, 2019
|
|
PSIO Error during ADC(2)
|
4
|
April 15, 2019
|
|
Is this statement about the SAPT analysis true?
|
12
|
June 13, 2019
|
|
sSAPT Scaling term and F-SAPT
|
4
|
April 12, 2019
|
|
Is there a way to calculate transition dipole moments between excited states?
|
3
|
June 8, 2019
|
|
F/I SAPT0 problem with three fragments
|
2
|
April 5, 2019
|
|
About SAPT (DFT)
|
3
|
March 29, 2019
|
|
Open-shell sapt calaculation
|
14
|
May 26, 2019
|
|
Density grandient and its laplacian
|
8
|
March 27, 2019
|
|
Numpy.ufunc size change warning
|
3
|
May 26, 2019
|
|
Is CCSD threading broken in 1.1?
|
19
|
May 23, 2019
|
|
Self-interaction correction
|
4
|
March 22, 2019
|
|
Convergence issues for DFT
|
7
|
March 22, 2019
|
|
wfn.form_H() errors
|
3
|
March 22, 2019
|
|
RI-MP2/def2-tzvppd convergence issue for calculations with iodide
|
29
|
May 19, 2019
|
