- Jun 29, 2018
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Axel Kohlmeyer authored
- improve error detection and messages - avoid sigma/cutoff to be zero (and thus division by zero) - move new/delete of temporary storage outside of loop
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Jun 27, 2018
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Axel Kohlmeyer authored
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- Jun 26, 2018
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Steve Plimpton authored
Pair entropy fingerprint
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Steve Plimpton authored
New paramteters for potential #839
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oywg11 authored
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oywg11 authored
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oywg11 authored
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PabloPiaggi authored
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oywg11 authored
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Steve Plimpton authored
Added newsystem flag to be passed to latte
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- Jun 25, 2018
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Axel Kohlmeyer authored
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Christian F. A. Negre authored
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Christian F. A. Negre authored
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Christian F. A. Negre authored
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Axel Kohlmeyer authored
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- Jun 23, 2018
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PabloPiaggi authored
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PabloPiaggi authored
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- Jun 22, 2018
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Steven J. Plimpton authored
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Steve Plimpton authored
made latte.in compatible with v1.1.1 and updated log files
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Christian F. A. Negre authored
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Steve Plimpton authored
Bug fixes and updates to the GPU package
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- Jun 21, 2018
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Christian F. A. Negre authored
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Steve Plimpton authored
Expand cmake documentation
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Richard Berger authored
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Steven J. Plimpton authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
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Steve Plimpton authored
Collected small changes and bugfixes for next patch release
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Steve Plimpton authored
Added boxrel example and simplified latte.in
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Steve Plimpton authored
cmake: implicit fortran libs need to linked last
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- Jun 20, 2018
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Trung Nguyen authored
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Axel Kohlmeyer authored
add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct.
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Axel Kohlmeyer authored
closes #876
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Trung Nguyen authored
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