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Last change
on this file since 94605f was 50d49d, checked in by Frederik Heber <heber@…>, 9 years ago |
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FIX: Renamed FitParticleCharges -> FitPartialCharges.
- fitting partial charges is much clearer and the proper word for the action,
also the class that does all the work is called PartialNucleiChargeFitter.
- all files, all classes.
- also renamed fit-particle-charges -> fit-partial-charges, also all files,
within all tests and the command itself.
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Property mode
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100644
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File size:
1.1 KB
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| 1 | #
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| 2 | # MoleCuilder - creates and alters molecular systems
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| 3 | # Copyright (C) 2008-2012 University of Bonn
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| 4 | # Copyright (C) 2013 Frederik Heber
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| 5 | #
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| 6 | # This program is free software: you can redistribute it and/or modify
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| 7 | # it under the terms of the GNU General Public License as published by
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| 8 | # the Free Software Foundation, either version 3 of the License, or
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| 9 | # (at your option) any later version.
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| 10 | #
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| 11 | # This program is distributed in the hope that it will be useful,
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| 12 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 13 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 14 | # GNU General Public License for more details.
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| 15 | #
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| 16 | # You should have received a copy of the GNU General Public License
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| 17 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 18 | #
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| 19 | AT_BANNER([MoleCuilder - potential tests])
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| 20 |
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| 21 | # fitting potential to fragment results
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| 22 | m4_include([Potential/FitPotential/testsuite-potential-fit-potential.at])
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| 23 |
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| 24 | # fitting particle charges to fragment results
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| 25 | m4_include([Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at]) |
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