Searched refs:drho_elec (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_sccs.F | 379 NULLIFY (drho_elec(i)%pw)
381 drho_elec(i)%pw, &
385 CALL derive(rho_elec, drho_elec, sccs_derivative_fft, pw_env, input, para_env)
395 norm_drho_elec%cr3d(i, j, k) = SQRT(drho_elec(1)%pw%cr3d(i, j, k)* &
396 drho_elec(1)%pw%cr3d(i, j, k) + &
397 drho_elec(2)%pw%cr3d(i, j, k)* &
399 drho_elec(3)%pw%cr3d(i, j, k)* &
400 drho_elec(3)%pw%cr3d(i, j, k))
483 (drho_elec(di)%pw%cr3d(i, j, k)* &
484 drho_elec(dj)%pw%cr3d(i, j, k)* &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_sccs.F | 378 NULLIFY (drho_elec(i)%pw)
380 drho_elec(i)%pw, &
384 CALL derive(rho_elec, drho_elec, sccs_derivative_fft, pw_env, input, para_env)
394 norm_drho_elec%cr3d(i, j, k) = SQRT(drho_elec(1)%pw%cr3d(i, j, k)* &
395 drho_elec(1)%pw%cr3d(i, j, k) + &
396 drho_elec(2)%pw%cr3d(i, j, k)* &
398 drho_elec(3)%pw%cr3d(i, j, k)* &
399 drho_elec(3)%pw%cr3d(i, j, k))
481 (drho_elec(di)%pw%cr3d(i, j, k)* &
482 drho_elec(dj)%pw%cr3d(i, j, k)* &
[all …]
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