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Add a more detailed introduction for model compression#772

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amcadmus merged 7 commits intodeepmodeling:develfrom
denghuilu:devel
Jun 20, 2021
Merged

Add a more detailed introduction for model compression#772
amcadmus merged 7 commits intodeepmodeling:develfrom
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add Important hint for getting-started.md

Update argcheck.py

add Important hint for variables

Update getting-started.md

check validity of data systems. print help message

add Important hint at getting-start.md (deepmodeling#622)

* add Important hint for getting-started.md

* add hint for some parameters

* add Important hint for variables

* Update argcheck.py

* Update getting-started.md

add doc of type embedding (deepmodeling#625)

Optimized mkindex function in doc/conf.py and added two files in troubleshooting. (deepmodeling#619)

support MPI and other atom_styles for LAMMPS atomic keyword (deepmodeling#628)

* support MPI and other atom_styles for LAMMPS atomic keyword

fix problems left in #44

* move out_each codes together

* indent the code

fix spell mistake (deepmodeling#638)

Atention -> Attention

Readme and Examples for Tensor mode (deepmodeling#632)

* Complete modification of tensor training, support combination of system with global/local label, and support polar label normalization to speed up training. Examples and documentation not added yet

* modify dipole json to pass ut test

* change json file (second time) to pass ut test

* modify test_data_modifier_shuffle.py file to fit new args rule

* modify data_modifier_shuffle: from dipole.npy to atomic_dipole.npy

* modify the name of pref_weight to pref and pref_atomic_weight to pref_atomic, plus some implementation mentioned by Han Wang in May 7th's email

* fix a bug occuring in ut test

* fix args of polar_se_a.json, to pass ut test

* change args: from loss_type to type, so that the args will be the same as ener mode, and will not cause conflict

* add examples and readme for tensor fitting mode in May 14

* change readmd content of tensor fit

* change the file name of readme file of tensor fitting

* Update train-fitting-tensor.md

* Update train-fitting-tensor.md

* Update train-fitting-tensor.md

* change the explanation of why some of lcurve.out is 0

* Update train-fitting-tensor.md

* Update train-fitting-tensor.md

append to out_file when LAMMPS restarts (deepmodeling#640)

This ensures the out file will not be override when LAMMPS restarts.
This commit may be conflicted with deepmodeling#392. Commit
@5597ea2b49f96e99a52a9779b04b6c12e5a79a04 should be dropped.

add an example of C++ inference to doc (deepmodeling#652)

* add an example of C++ inference to doc

* fix broken link

Add instructions for i-PI (deepmodeling#660)

* Add instructions for i-PI

* Update doc/getting-started.md

Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

Co-authored-by: tuoping <abby@DESKTOP-LV5KL0D.localdomain>
Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>

Added doc for netsize setting, num_nodes specification, and sel setting in doc/troubleshooting/ (deepmodeling#657)

fix issue 668 (deepmodeling#680)

* fix bug of issue 668
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codecov-commenter commented Jun 18, 2021

Codecov Report

Merging #772 (9b3b518) into devel (c200e9a) will increase coverage by 0.08%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #772      +/-   ##
==========================================
+ Coverage   74.21%   74.30%   +0.08%     
==========================================
  Files          82       82              
  Lines        6520     6534      +14     
==========================================
+ Hits         4839     4855      +16     
+ Misses       1681     1679       -2     
Impacted Files Coverage Δ
deepmd/entrypoints/compress.py 97.22% <ø> (ø)
deepmd/entrypoints/main.py 89.77% <100.00%> (ø)
deepmd/utils/tabulate.py 87.77% <0.00%> (-0.85%) ⬇️
deepmd/fit/ener.py 94.50% <0.00%> (+0.02%) ⬆️
deepmd/descriptor/se_a.py 98.92% <0.00%> (+1.78%) ⬆️

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@amcadmus amcadmus requested a review from tuoping June 20, 2021 07:36
@amcadmus amcadmus merged commit 44d49f3 into deepmodeling:devel Jun 20, 2021
gzq942560379 pushed a commit to HPC-AI-Team/deepmd-kit that referenced this pull request Sep 1, 2021
njzjz added a commit to njzjz/deepmd-kit that referenced this pull request Sep 21, 2023
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4 participants