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a62b65096b
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more error checks for Scafacos usage
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2018-07-18 15:48:17 -06:00 |
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b0c9fde1dd
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more changes from Steve
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2018-07-18 15:32:03 -06:00 |
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eebd075a15
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added scaling for different units (lj, metal, ...) and storage of atom-wise potentials (eatom / eatom_flag)
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2018-07-18 11:05:54 -06:00 |
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e7f4e059cf
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convert to KSspace style rather than fix
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2018-07-13 16:46:06 -06:00 |
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6cfdcd1000
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removed custom error message, information is added to error->one() call
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2018-07-13 08:49:47 -06:00 |
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8cca44ae45
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removed wrong error messages
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2018-07-11 14:02:51 -06:00 |
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88d3233b66
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replaced printf with fprintf as requested
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2018-07-11 14:02:30 -06:00 |
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dd38318f5f
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adjustments to indention and line lengths (<=80 now)
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2018-07-09 14:12:06 -06:00 |
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4c4d8372e4
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removed C++ std::cout I/O and replaced it with printf
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2018-07-09 14:01:06 -06:00 |
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dbfea0e617
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update folder structure to comply to LAMMPS contribution rules
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2018-07-09 13:53:31 -06:00 |
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