Tests for variational parameter derivatives. More...

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Classes
class	GradientTest

Namespaces
	qmcplusplus
	helper functions for EinsplineSetBuilder

Detailed Description

Tests for variational parameter derivatives.

This optimization type will compare finite difference derivatives with the analytic derivatives. It can also output a file that can be used with 'qmca' to get error bars.

The input is placed under the batched linear optimizer (method="opt_batch"). It uses the 'optimize' tag with the 'method' attribute set to 'gradient_test' For example:

<loop max="4">
 <qmc method="opt_batch" move="pbyp">
   <optimize method="gradient_test">
     <parameter name="output_param_file">yes</parameter>
   </optimize>
   ...
 </qmc>
</loop>

The output_param_file parameter defaults to 'no'. If 'yes', a file named "<project id>.param.s000.scalar.dat" is created. Each iteration of the optimizer loop outputs one line in the file. (The above example will produce 4 entries in the file). This is a hack to enable computing error bars on the parameter gradients.

Definition in file GradientTest.h.

Classes

Namespaces

Detailed Description