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Are the calculated wavefunctions normalized?
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8
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596
|
December 23, 2022
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How to get TDSCF's wavefunction?
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3
|
389
|
October 24, 2022
|
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Psi4 .xyz reading/writing
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5
|
791
|
October 18, 2022
|
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Installation AM8 - Error finding Libint2 - CMake libdl no match DL
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3
|
507
|
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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627
|
October 7, 2022
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Unable to install psi4 on windows
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1
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352
|
October 5, 2022
|
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Unable to silence auxiliary prints in psi4.driver.energy
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2
|
420
|
October 2, 2022
|
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Setting DFT integration grid based on atom identity
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5
|
544
|
September 30, 2022
|
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Too large scratch file
|
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6
|
610
|
September 28, 2022
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SAPT EDA Memory Error (Suuplied memory less than required memory)
|
|
1
|
561
|
September 27, 2022
|
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Sapt0 for a open-shell system (uhf) occur error
|
|
1
|
688
|
September 27, 2022
|
|
How to obtain the solid formation of atomic orbitals
|
|
19
|
1048
|
September 26, 2022
|
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Is that possible to turn off density fitting in MP2 calculation?
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3
|
481
|
November 23, 2022
|
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Polarizability Calculation Not Converging
|
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3
|
343
|
September 20, 2022
|
|
Starting new run from previous step
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|
4
|
450
|
September 20, 2022
|
|
Data to plot XAS spectra from psixas calculations
|
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0
|
346
|
September 13, 2022
|
|
Installation issue with psi4 in a Mac to get Forte running
|
|
11
|
537
|
September 12, 2022
|
|
Creating custom basis set direct from python
|
|
0
|
480
|
September 8, 2022
|
|
Issue installing psi4 from source
|
|
8
|
700
|
September 5, 2022
|
|
Calculating INTRAmolecular SAPT
|
|
3
|
656
|
September 2, 2022
|
|
DFT calculations without density fitting
|
|
1
|
443
|
August 30, 2022
|
|
**Fatal Error: SCF::DF: Disk based algorithm requires
|
|
6
|
2272
|
August 15, 2022
|
|
Defining charge, multiciplity for fragments in FI-SAPT0 calculations
|
|
0
|
339
|
August 12, 2022
|
|
Permission problem
|
|
1
|
335
|
August 12, 2022
|
|
Get R amplitudes an in CCEOM
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|
5
|
502
|
August 12, 2022
|
|
Fatal Error: PsiOutStream: Failed to open file
|
|
2
|
461
|
August 9, 2022
|
|
Availability of command line Psi4 scripts
|
|
2
|
439
|
August 5, 2022
|
|
What do the cube-files in I-SAPT visualize?
|
|
10
|
1409
|
August 5, 2022
|
|
How to run multiple computations
|
|
3
|
417
|
July 29, 2022
|
|
Need help to run HOMO-LUMO calcualtion in psi4
|
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9
|
1405
|
September 25, 2022
|