Back to the main page of this manual | Input reference of CP2K version 7.0 |
FLETCHER_REEVES {Logical} | |
Uses FLETCHER-REEVES instead of POLAK-RIBIERE when using Conjugate Gradients [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to .TRUE. | |
Default value: .FALSE. |
MAX_STEEP_STEPS {Integer} | |
Maximum number of steepest descent steps before starting the conjugate gradients optimization. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value: 0 |
RESTART_LIMIT {Real} | |
Cosine of the angle between two consecutive searching directions. If the angle during a CG optimization is less than the one corresponding to to the RESTART_LIMIT the CG is reset and one step of steepest descent is performed. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 9.00000000E-001 |
Back to the main page of this manual or the CP2K home page | (Last update: 17.6.2019) |