| 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) 2013-2021 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 | # adding a potential | 
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| 22 | m4_include([Potential/AddPotential/testsuite-potential-add-potential.at]) | 
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| 23 | m4_include([Potential/AddPotential/testsuite-potential-add-potential-various_cases.at]) | 
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| 24 |  | 
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| 25 | # parsing and saving potential file | 
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| 26 | m4_include([Potential/SaveParsePotentials/testsuite-potential-save-parse-potentials.at]) | 
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| 27 |  | 
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| 28 | # removing a potential | 
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| 29 | m4_include([Potential/RemovePotential/testsuite-potential-remove-potential.at]) | 
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| 30 | m4_include([Potential/RemovePotential/testsuite-potential-remove-potential-various_cases.at]) | 
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| 31 |  | 
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| 32 | # fitting potential to fragment results | 
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| 33 | m4_include([Potential/FitPotential/testsuite-potential-fit-potential.at]) | 
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| 34 |  | 
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| 35 | # parsing and saving particles file | 
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| 36 | m4_include([Potential/SaveParseParticleParameters/testsuite-potential-save-parse-particle-parameters.at]) | 
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| 37 |  | 
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| 38 | # fitting particle charges to fragment results | 
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| 39 | m4_include([Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at]) | 
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| 40 |  | 
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| 41 | # generating potentials to a fragment | 
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| 42 | m4_include([Potential/GeneratePotentials/testsuite-potential-generate-potentials.at]) | 
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| 43 |  | 
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| 44 | # fitting a compound potential | 
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| 45 | m4_include([Potential/FitCompoundPotential/testsuite-potential-fit-compound-potential.at]) | 
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