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Delete information printed by dpgen -h to enable pip install dpgen (#718)
* Change mv to cp when downloading softlinks. * Add explanations relevant to POTCAR's examples. * Fix CH4's vasp-md INCAR example. * Fix bug in make_submission of Auto-test * Add ase, custodian, GromacsWrapper in conda packages. * Fix bug of fp_task_min * Add gromacswrapper to conda recipe * Revert "Fix bug of fp_task_min" This reverts commit 8d7f8a7. * Add numkit recipe * Add `convert_mdata` definition to fix simplify bug. * Fix the usage of `pair_coeff` in `auto_test` * Delete printed information by `dpgen -h` in manual. * Revert "Add gromacswrapper to conda recipe" This reverts commit 3529e91. * Revert "Add numkit recipe" This reverts commit d19bd77.
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README.md

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@@ -92,50 +92,6 @@ To test if the installation is successful, you may execute
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```bash
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dpgen -h
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```
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and if everything works, it gives
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```
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DeepModeling
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------------
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Version: 0.9.2
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Date: Mar-25-2021
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Path: /root/yuzhi/dpgen-test/lib/python3.6/site-packages/dpgen
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Reference
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------------
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Please cite:
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Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and Weinan E,
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DP-GEN: A concurrent learning platform for the generation of reliable deep learning
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based potential energy models, Computer Physics Communications, 2020, 107206.
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------------
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Description
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------------
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usage: dpgen [-h]
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{init_surf,init_bulk,auto_gen_param,init_reaction,run,run/report,collect,simplify,autotest,db}
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...
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dpgen is a convenient script that uses DeepGenerator to prepare initial data,
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drive DeepMDkit and analyze results. This script works based on several sub-
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commands with their own options. To see the options for the sub-commands, type
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"dpgen sub-command -h".
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positional arguments:
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{init_surf,init_bulk,auto_gen_param,init_reaction,run,run/report,collect,simplify,autotest,db}
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init_surf Generating initial data for surface systems.
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init_bulk Generating initial data for bulk systems.
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auto_gen_param auto gen param.json
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init_reaction Generating initial data for reactive systems.
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run Main process of Deep Potential Generator.
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run/report Report the systems and the thermodynamic conditions of
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the labeled frames.
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collect Collect data.
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simplify Simplify data.
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autotest Auto-test for Deep Potential.
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db Collecting data from DP-GEN.
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optional arguments:
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-h, --help show this help message and exit
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```
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## Init: Preparing Initial Data

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