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Searched refs:dD_dq3 (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmol_force.F494 dC_dq3, dD_dq1, dD_dq2, dD_dq3, & local
564 dD_dq3 = (2.0_dp*E*dE_dq3 - D*dC_dq3)/C
568 db_dq3 = -dD_dq3
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmol_force.F494 dC_dq3, dD_dq1, dD_dq2, dD_dq3, & local
564 dD_dq3 = (2.0_dp*E*dE_dq3 - D*dC_dq3)/C
568 db_dq3 = -dD_dq3