1CSG_RESAMPLE(1) General Commands Manual CSG_RESAMPLE(1)
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6 csg_resample - Part of the VOTCA package
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11 csg_resample [OPTIONS]
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13 csg_resample [--help]
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18 Change grid and interval of any sort of table files. Mainly called
19 internally by inverse script, can also be used to manually prepare
20 input files for coarse-grained simulations.
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26 Allowed options:
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28 --help produce this help message
29 --in arg table to read
30 --out arg table to write
31 --derivative arg table to write
32 --grid arg new grid spacing (min:step:max). If 'grid' is
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34 only, interpolation is performed.
35 --type arg (=akima) [cubic|akima|linear]. If option is not
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37 default type 'akima' is assumed.
38 --fitgrid arg specify fit grid (min:step:max). If 'grid' and
39 'fitgrid' are specified, a fit is performed.
40 --nocut Option for fitgrid: Normally, values out of
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42 boundaries are cut off. If they shouldn't,
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44 --nocut.
45 --comment arg store a comment in the output table
46 --boundaries arg (natural|periodic|derivativezero) sets boundary
47 conditions
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51 Written and maintained by the VOTCA Development Team <devs@votca.org>
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56 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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58 Licensed under the Apache License, Version 2.0 (the "License"); you may
59 not use this file except in compliance with the License. You may
60 obtain a copy of the License at
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62 http://www.apache.org/licenses/LICENSE-2.0
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64 Unless required by applicable law or agreed to in writing, software
65 distributed under the License is distributed on an "AS IS" BASIS,
66 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
67 implied. See the License for the specific language governing
68 permissions and limitations under the License.
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73VOTCA Development Team csg_resample User Manual CSG_RESAMPLE(1)