Searched refs:ddrmm (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_tb_methods.F | 79 REAL(dp), PARAMETER :: ddrmm = 0.0001_dp variable
1382 drp = dr + ddrmm
1383 drm = dr - ddrmm
1386 gamma_rab_sr(drm, qm_alpha, eta_mm, 0.0_dp))/ddrmm
1390 gamma_rab_sr(drm, qm_alpha, eta_mm, 0.0_dp))/ddrmm
1393 dsr = 0.5_dp*(erfc(qm_alpha*drp)/drp - erfc(qm_alpha*drm)/drm)/ddrmm
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| H A D | qs_dftb_utils.F | 43 REAL(dp), PARAMETER :: ddrmm = 0.0001_dp variable
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_tb_methods.F | 79 REAL(dp), PARAMETER :: ddrmm = 0.0001_dp variable
1382 drp = dr + ddrmm
1383 drm = dr - ddrmm
1386 gamma_rab_sr(drm, qm_alpha, eta_mm, 0.0_dp))/ddrmm
1390 gamma_rab_sr(drm, qm_alpha, eta_mm, 0.0_dp))/ddrmm
1393 dsr = 0.5_dp*(erfc(qm_alpha*drp)/drp - erfc(qm_alpha*drm)/drm)/ddrmm
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| H A D | qs_dftb_utils.F | 43 REAL(dp), PARAMETER :: ddrmm = 0.0001_dp variable
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