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About the Questions category
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0
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65
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July 1, 2020
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Q-Chem on M1 processors
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1
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7
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April 23, 2021
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QCHEM and CHARMM QM/MM
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4
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31
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April 22, 2021
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Unanswered iQmol / Q-Chem question on Matter Modeling Stack Exchange
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3
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41
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April 22, 2021
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RAS_FRAG_SETS Usage
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4
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43
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April 21, 2021
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Want to know about the OD(T) method
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6
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30
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April 21, 2021
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Dummy atoms and constrained geometry optimization
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5
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34
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April 19, 2021
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Insufficient temporary storage in EvlDn0
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4
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93
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April 16, 2021
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Problem with optimal tuning for range separated functional
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2
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24
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April 16, 2021
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CIS(D) calculation memory problem
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1
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43
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April 14, 2021
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Platinum complex optimization problem
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12
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56
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April 12, 2021
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Double precision for C-DFTCI results
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1
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30
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April 8, 2021
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Questions about AIMD calculations
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2
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47
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April 7, 2021
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QM/MM with point charge equal to zero problem
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2
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34
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March 29, 2021
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Bonded ALMO-EDA jobs failing at last step
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1
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76
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March 26, 2021
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Spin-orbit and memory
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4
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71
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March 21, 2021
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C-DFT-CI including localized excited state
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8
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106
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March 19, 2021
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QM/MM optimizations with constraints and L-BFGS algorithm
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1
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54
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March 19, 2021
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EOM-EA Frequency Analysis Stalling
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4
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64
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March 18, 2021
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Memory Problems with ADC2 calculations
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4
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73
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March 17, 2021
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Solvatochromism and Non-Eq PCM with TDDFT
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1
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61
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March 17, 2021
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TD-DFT and OpenMP
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6
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78
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March 13, 2021
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Spin densities from adaptive sampling SCF calculations
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5
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64
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March 12, 2021
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Imaginary frequency
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5
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89
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March 11, 2021
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Allocating memory in Windows
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1
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57
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March 10, 2021
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Calculating electronic preparation energy using ALMO-EDA
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1
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81
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March 9, 2021
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EOM-CCSD problem with symmetry
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3
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61
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March 6, 2021
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Calculating multiple hessians during geometry opt
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5
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62
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March 5, 2021
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RI-CCSD calculation crashes without any error message
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2
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87
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March 2, 2021
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What functionals does Q-Chem supprot for calculation of analytical nuclear gradients of excited stated with TDDFT or TDA?
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3
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71
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March 2, 2021
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