Searched refs:dftb3_diagonal_hessian (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xtb_ehess.F | 278 CALL dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma)
300 SUBROUTINE dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma) subroutine
348 END SUBROUTINE dftb3_diagonal_hessian
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xtb_ehess.F | 278 CALL dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma)
300 SUBROUTINE dftb3_diagonal_hessian(qs_env, ks_matrix, mcharge, mcharge1, xgamma) subroutine
348 END SUBROUTINE dftb3_diagonal_hessian
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