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Ssh connection from IQmol on Mac
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5
|
1187
|
November 19, 2020
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Molden file for an excited state
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5
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1218
|
November 17, 2020
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SOC between lowest lying singlet and triplet excited state
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5
|
811
|
November 4, 2020
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Using AMOEBA on Q-Chem (or interface Tinker/Q-Chem)
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3
|
589
|
October 30, 2020
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How to run Q-Chem on Azure Cloud
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1
|
744
|
October 30, 2020
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Q-Chem fatal error occurred in module 0 and forms2/ShlPairs.C
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5
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1926
|
October 28, 2020
|
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Insuffcient virtual memory
|
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2
|
689
|
October 23, 2020
|
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Composite QM methods
|
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1
|
435
|
October 11, 2020
|
|
Unable to allocate requested memory in mega_alloc
|
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1
|
904
|
October 10, 2020
|
|
AIMD for reaction
|
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2
|
645
|
October 9, 2020
|
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How to set up a QM/MM-Ewald calculation
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1
|
568
|
September 8, 2020
|
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QM/MM energies within ONIOM and Janus schemes
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2
|
840
|
September 4, 2020
|
|
QM/MM optimization
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3
|
691
|
August 11, 2020
|
|
Size of molecular systems for NTOs analysis in TPA
|
|
6
|
585
|
August 10, 2020
|
|
Is FNO approximation applicable to EOM-EE-CCSD?
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2
|
472
|
July 7, 2020
|
|
Resonances with projected-CAP
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1
|
451
|
July 7, 2020
|
|
What to do if Q-Chem can't determine orbital irrep?
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1
|
1136
|
July 5, 2020
|
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How to plot diffuse orbitals in IQmol?
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1
|
655
|
July 4, 2020
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