PSCF v1.2
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The AmCompressor classes used by both the pscf_pc and pscf_pg programs implements a linear-response Anderson mixing (LRAM) algorithm as described in this publication.
Two closely analogous classes named Pscf::Rpc::AmCompressor and Pscf::Rpg::AmCompressor implement this algorithm for the pscf_pc CPU and program and the pscf_pg GPU-accelerated program, respectively. These two classes implement the same step algorithm and use the same parameter file format, which are documented below.
A general discussion of compressor algorithms for PS-FTS is given here.
The AmCompressor algorithm ...
The only required parameter for this algorithm is the error threshhold "epsilon"
The full parameter file format, including all optional parameters, is shown below:
Meanings of all parameters are described briefly below:
Label | Description |
epsilon | error threshhold |
maxItr* | maximum number of iterations to attempt before declaring failure |
maxHist* | maximum number of previous states to retain in history |
verbose* | verbosity level (lower values are less verbose. Default level = 0) |
errorType* | ???? |