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Manual specification of double hybrids
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3
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90
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January 2, 2021
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wB97X-D gave different energy by QChem
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3
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111
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December 30, 2020
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Running QM/MM via NAMD
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0
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77
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December 24, 2020
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Geometry optimization with constrained DFT
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13
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193
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December 24, 2020
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ESP_CHARGES in Q-Chem
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5
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104
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December 23, 2020
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OPLSAA andheroget t
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1
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66
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December 17, 2020
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Optimization with constraint to hold atoms on a plane
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3
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74
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December 10, 2020
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Plot both alpha and beta molecular orbitals as cube files
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1
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70
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December 7, 2020
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Webinar 43 by Felix Plasser: New Analysis Tools for Excited-State Quantum Chemistry: The libwfa Library in Q-Chem
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3
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161
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December 6, 2020
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Orbital concepts in quantum chemistry
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0
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101
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December 6, 2020
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Failed to check the license
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2
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67
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December 5, 2020
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Is it valid to use MOs other than canonical HF orbitals to run EOM-CC calculations
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4
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218
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December 3, 2020
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Webinar 46 Wormit Award Mini-Symposium by PAVEL POKHILKO and YUEZHI MAO
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1
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81
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December 3, 2020
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Problem when zsh source qcenv.sh file
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2
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78
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November 30, 2020
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Symmetry of EOM-EE(EA)-CCSD
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1
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73
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November 30, 2020
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Missing output files with transmission calculation
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5
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80
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November 25, 2020
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Compute E-field at nuclear positions
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1
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92
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November 24, 2020
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Webinar 45 by Maximilian Menger and Vale Cofer-Shabica: Chemistry doesn't happen in a vacuum: Bringing advanced solvent environments to Q-Chem for dynamics and more
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0
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67
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November 23, 2020
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Ssh connection from IQmol on Mac
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5
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106
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November 19, 2020
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Molden file for an excited state
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5
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141
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November 17, 2020
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SOC between lowest lying singlet and triplet excited state
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5
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135
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November 4, 2020
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Using AMOEBA on Q-Chem (or interface Tinker/Q-Chem)
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3
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116
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October 30, 2020
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How to run Q-Chem on Azure Cloud
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1
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115
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October 30, 2020
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Webinar 44 by Maximilian Menger: PySurf - A Framework for Database Accelerated Direct Dynamics
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0
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91
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October 28, 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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126
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October 28, 2020
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Restarting calculations and performing multi-step jobs
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2
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328
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October 28, 2020
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Insuffcient virtual memory
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2
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82
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October 23, 2020
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Q-Chem user manual references
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2
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92
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October 23, 2020
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Composite QM methods
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1
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73
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October 11, 2020
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Unable to allocate requested memory in mega_alloc
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1
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115
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October 10, 2020
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