Searched refs:spherical_estimate_virial (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_derivatives.F | 162 rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & local
1329 spherical_estimate_virial = 0.0_dp
1331 … spherical_estimate_virial = MAX(spherical_estimate_virial, ABS(primitive_forces_virial(i)))
1456 … IF (use_virial .AND. spherical_estimate_virial*pmax_entry >= eps_schwarz) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_derivatives.F | 166 rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & local
1340 spherical_estimate_virial = 0.0_dp
1342 … spherical_estimate_virial = MAX(spherical_estimate_virial, ABS(primitive_forces_virial(i)))
1469 … IF (use_virial .AND. spherical_estimate_virial*pmax_entry >= eps_schwarz) THEN
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