Searched refs:db_dq1 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mol_force.F | 493 … REAL(KIND=dp), DIMENSION(3) :: db_dq1, db_dq2, db_dq3, dC_dq1, dC_dq2, & local
566 db_dq1 = -2.0_dp*t41 - dD_dq1
582 gt1 = (1.0_dp/(2.0_dp*SQRT(b))*db_dq1 + cosphi*t41*is41)/SIN(phi)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mol_force.F | 493 … REAL(KIND=dp), DIMENSION(3) :: db_dq1, db_dq2, db_dq3, dC_dq1, dC_dq2, & local
566 db_dq1 = -2.0_dp*t41 - dD_dq1
582 gt1 = (1.0_dp/(2.0_dp*SQRT(b))*db_dq1 + cosphi*t41*is41)/SIN(phi)
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