NAME

csg_resample - Part of the VOTCA package

SYNOPSIS

csg_resample [OPTIONS]

csg_resample [--help]

DESCRIPTION

Change grid and interval of any sort of table files. Mainly called internally by inverse script, can also be used to manually prepare input files for coarse-grained simulations.

OPTIONS

Allowed options:

--help produce this help message --in arg table to read --out arg table to write --derivative arg table to write --grid arg new grid spacing (min:step:max). If 'grid' is specified only, interpolation is performed. --type arg (=akima) [cubic|akima|linear]. If option is not specified, the default type 'akima' is assumed. --fitgrid arg specify fit grid (min:step:max). If 'grid' and 'fitgrid' are specified, a fit is performed. --nocut Option for fitgrid: Normally, values out of fitgrid boundaries are cut off. If they shouldn't, choose --nocut. --comment arg store a comment in the output table --boundaries arg (natural|periodic|derivativezero) sets boundary conditions

AUTHORS

Written and maintained by the VOTCA Development Team <devs@votca.org>

COPYRIGHT

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.