- Nov 07, 2018
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jrgissing authored
also, fixes a bug introduced in PR #1189, when not using stabilization
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- Nov 05, 2018
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jrgissing authored
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- Nov 03, 2018
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jrgissing authored
enables consistent syntax when using custom groups
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- Nov 01, 2018
- Oct 31, 2018
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jrgissing authored
option to update all atomic charges, even when edge atoms are defined
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- Oct 10, 2018
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Stan Moore authored
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- Oct 02, 2018
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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ckadding authored
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ckadding authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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ckadding authored
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ckadding authored
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ckadding authored
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ckadding authored
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ckadding authored
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dilkins authored
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dilkins authored
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- Oct 01, 2018
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dilkins authored
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- Sep 28, 2018
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dilkins authored
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- Sep 20, 2018
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ckadding authored
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- Sep 12, 2018
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oywg11 authored
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- Sep 06, 2018
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Sep 05, 2018
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Stefan Paquay authored
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Stefan Paquay authored
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Axel Kohlmeyer authored
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jrgissing authored
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jrgissing authored
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- Aug 28, 2018
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Richard Berger authored
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- Aug 25, 2018
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jrgissing authored
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- Aug 24, 2018
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Daniel Schwen authored
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Daniel Schwen authored
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- Aug 23, 2018
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Axel Kohlmeyer authored
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- Aug 22, 2018
- Aug 21, 2018
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jrgissing authored
now always throws error if a bond type changes, but both of of the involved atoms are too close to edge of template
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