Searched refs:safe_density_guess (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_initial_guess.F | 138 nvec, ounit, qs_env_id, safe_density_guess, size_atomic_kind_set, z local
232 safe_density_guess = atomic_guess
235 safe_density_guess = mopac_guess
240 safe_density_guess = mopac_guess
243 safe_density_guess = core_guess
285 density_guess = safe_density_guess
322 density_guess = safe_density_guess
336 IF (natom_mismatch) density_guess = safe_density_guess
344 density_guess = safe_density_guess
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_initial_guess.F | 143 nvec, ounit, qs_env_id, safe_density_guess, size_atomic_kind_set, z local
260 safe_density_guess = atomic_guess
263 safe_density_guess = mopac_guess
268 safe_density_guess = mopac_guess
271 safe_density_guess = core_guess
313 density_guess = safe_density_guess
350 density_guess = safe_density_guess
377 IF (natom_mismatch) density_guess = safe_density_guess
385 density_guess = safe_density_guess
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