Best,
Lucas
Lucas
I am afraid I cannot help you with that, all I know is that it comes
from the patchset shown below. It is up to Michal to "declassify" its
purpose.
Jindra
changeset: 188:0d791a69f55c
user: Michal Bajdich <bajd...@ornl.gov>
date: Thu Jul 08 11:06:57 2010 -0400
description:
1) Fixing critical error in MO_matrix_basfunc for calculation of Hessian
used in backflow.
Without it, there was an error for kinetic energy with backflow.
2) Adding lap and hes for 7F and 9G functions (tested on spherical jellium)
3) adding sqd converter (for runs for spherical jellium)
4) Adding calculation of the radial density on the grid and on the basis
expanssion
5) spherical bessel functions added (no grad, lap, hess yet)
6) minor fixes to the 1D splines