Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since 596aac was c66ae6, checked in by Frederik Heber <heber@…>, 10 years ago |
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TESTFIX: Added AdjacencyMatcher to correctly compare .adj files in save-adjacency regression test.
- GuiChecks sees a different (but still valid) ordering in the .adj file in the
save-adjacency regression test.
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Property mode
set to
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) 2012 University of Bonn
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| 4 | #
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| 5 | # This program is free software: you can redistribute it and/or modify
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| 6 | # it under the terms of the GNU General Public License as published by
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| 7 | # the Free Software Foundation, either version 3 of the License, or
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| 8 | # (at your option) any later version.
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| 9 | #
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| 10 | # This program is distributed in the hope that it will be useful,
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| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 13 | # GNU General Public License for more details.
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| 14 | #
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| 15 | # You should have received a copy of the GNU General Public License
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| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
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| 17 | #
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| 18 | AT_BANNER([MoleCuilder - Bond])
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| 19 |
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| 20 | # add bond
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| 21 | m4_include([Bond/Add/testsuite-bond-add.at])
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| 22 | m4_include([Bond/Add/testsuite-bond-add_multiple.at])
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| 23 |
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| 24 | # remove bond
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| 25 | m4_include([Bond/Remove/testsuite-bond-remove.at])
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| 26 | m4_include([Bond/Remove/testsuite-bond-remove_multiple.at])
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| 27 |
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| 28 | # adjacency matcher
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| 29 | m4_include([Bond/AdjacencyMatcher/testsuite-bond-adjacencymatcher.at])
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