bug introduced by pr#611
list.sum() --> sum(list)

* delete unnecessary files

* remove ABACUS codes in relabel.py, fix test files.

* Add files via upload

* Add files via upload

* added abacus interface for init_bulk

* modify abacus init_bulk interface in accordance with earlier prs

* Add files via upload

* Add files via upload

* Add files via upload

* Add files via upload

* Update test_coll_abacus.py

* Update README.md

* replace STRU_unit functions with poscar_unit functions plus dpdata conversion

* added relax_kspacing and md_kspacing for KPT generation.

Co-authored-by: LiuRenxi <[email protected]>

…lax step (deepmodeling#631)

* fix typo in github actions release to conda

* Get from_poscar_path only when from_poscar is true (deepmodeling#537)

Change-Id: I17774bee345634e4e72bd783e8112eefaaf9f0d3

Co-authored-by: Zhengju Sha <[email protected]>

* Add `minimize` step with `fix   1 all box/relax tri 0.0`

Co-authored-by: Han Wang <[email protected]>
Co-authored-by: felix5572 <[email protected]>
Co-authored-by: shazj99 <[email protected]>
Co-authored-by: Zhengju Sha <[email protected]>
Co-authored-by: Han Wang <[email protected]>

* pwscf gamma sampling; fix loc_frame conflict

* pwscf gamma sampling; fix the conflict between loc_frame descriptor and automatic sel label generation

Co-authored-by: Pinchen Xie <[email protected]>

…odeling#670)

* Update simplify.py

Compatibility for api > 1.0

* Update simplify.py

fix the bug when multiple suffix applied, dp test obmit the middle ones and keep the last one, which lead to conflicts in dp test outputs. e.g.: dp test request 4 files: details.0.e.out details.1.e.out details.2.e.out details.3.e.out; actually output 1 file: details.e.out

* Update simplify.py

import function LooseVersion for API > 1.0

…pmodeling#667)

* 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.

* Debug info

* Debug info

* Fix bug in autotest

* Check autotest confdir

* Debug autotest command

* Change run_task to [run_task]

* Combining tasks together in common_equi

* Combining dispatcher in common_equi

* Delete debugging info.

* Delete irrelevant conda file

* Fix bug in common_equi

* Add error log in common_prop

(cherry picked from commit 1f1a39c)