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LINMIN_GRAD_ONLY T | |
Use only the gradient, not the energy for line minimizations (e.g. in conjugate gradients). | |
This optional keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
MAX_ALLOWED_STEP {REAL} | |
Max allowed value for the line search step. | |
This optional keyword cannot be repeated and it expects precisely one real. | |
Default value: 2.50000000E-01 | |
Default unit: [internal_cp2k] |
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