Geometry Optimization
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
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About the Geometry Optimization category
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1 | 141 | October 29, 2019 |
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Using Psi4 as an external optimizer
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14 | 170 | July 19, 2020 |
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Optimization of methnae
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9 | 152 | July 6, 2020 |
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Problems with geometry convergence in dihedral scan
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12 | 213 | June 11, 2020 |
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Frozen bond+bend
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2 | 142 | February 10, 2020 |
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Singlet carbene geometry opt
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7 | 177 | February 10, 2020 |
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DF-MP2 produces error for non-covalent interaction
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6 | 178 | April 4, 2020 |
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Does CCSD and CCSD(T) run in multi-thread mode?
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3 | 438 | December 5, 2019 |