Back to the main page of this manual | Input reference of CP2K version 7.1 |
CP2K_INPUT /
FORCE_EVAL /
QMMM /
PERIODIC /
INTERPOLATOR
AINT_PRECOND {Keyword} |
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the approximate inverse to use to get the starting point for the linear solver of the spline3 methods | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
SPL3_NOPBC_AINT1 |
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List of valid keywords:
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EPS_R {Real} |
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accuracy on the residual for spline3 the interpolators | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-010 |
EPS_X {Real} |
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accuracy on the solution for spline3 the interpolators | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E-010 |
MAX_ITER {Integer} |
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the maximum number of iterations | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value:
100 |
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Alias names for this keyword: MAXITER |
PRECOND {Keyword} |
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The preconditioner used for the linear solver of the spline3 methods | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value:
SPL3_NOPBC_PRECOND3 |
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List of valid keywords:
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Back to the main page of this manual or the CP2K home page | (Last update: 14.12.2021) |