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automatically write lmp file when mgp constructed #28 #51

Merged
merged 2 commits into from
Sep 19, 2019
Merged

automatically write lmp file when mgp constructed #28 #51

merged 2 commits into from
Sep 19, 2019

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YuuuXie
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@YuuuXie YuuuXie commented Sep 18, 2019

  1. cleaned up the code for a little bit
  2. add some documentation in the methods and classes
  3. separate write_two_plus_three into 1) write_two_body 2) write_three_body 3) write_lmp_file
  4. write lammps coefficient file automatically every time the MappedGaussianProcess is constructed --> close Transfer training result to LAMMPS coefficient file #28
  5. folders tests/mff and tests/test_lammps are useless, can be removed

@jonpvandermause jonpvandermause merged commit ba8001a into master Sep 19, 2019
@YuuuXie YuuuXie deleted the auto_write_lmp branch September 21, 2019 02:01
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Transfer training result to LAMMPS coefficient file
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@YuuuXie @jonpvandermause