merge with the private repo. starting point of v1.0#36

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amcadmus wants to merge 24 commits intodeepmodeling:masterfrom

amcadmus:master

Commits on Jun 17, 2019

New features: interpolation with tabulated potential, frame parameter, python interface, unit tests. merge with the private repo.
Han Wang
committed

Commits on Jun 18, 2019

grad in one shared lib
Han Wang
committed
human readable input/output shape
Han Wang
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infer nframes, simpified models. only compatible to higher versions of tf
Han Wang
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git ignore output files in lmp and train examples
Han Wang
committed

Commits on Jun 20, 2019

implement radial only smooth descriptor
Han Wang
committed

Commits on Jun 21, 2019

new variable name convention
Han Wang
committed
implement models in seperate classes, add tests for them
Han Wang
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split model and trainer
Han Wang
committed

Commits on Jun 23, 2019

implement model se_r and se_ar
Han Wang
committed
remove outdated assertion
Linfeng Zhang
committed
virtual env should not use system packages
Han Wang
committed

Commits on Jun 27, 2019

seperate DescrptSeA from ModelSeA
Han Wang
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seperate descrptors and energy fitting from model
Han Wang
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update tests, add json for se_r
Han Wang
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new parameter convention
Han Wang
committed

Commits on Jun 28, 2019

rearrange examples
Han Wang
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make short-range table work
Han Wang
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bug fixing: fparam does not work with multiple atom types
Han Wang
committed
bug fixing: srtab testing conficting namescope
Han Wang
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add unittest for fparam test
Han Wang
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ignore build dirs
Han Wang
committed

Commits on Jul 3, 2019

merge cherry-pick rm train/Test.py
Han Wang
committed

Commits on Jul 12, 2019

add example for fparam
Han Wang
committed