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init_bulk: skip relax if skip_relax is true #594

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merged 1 commit into from
Nov 30, 2021

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@shazj99 shazj99 commented Nov 23, 2021

Now skip_relax is only checked in stage 2 (perturb and scale) and use an unrelaxed POSCAR. It also should be checked in stage 1 to skip the relaxation job.

Change-Id: I12cc467e5956a5deb29ac4bd43719db1c0ef8942

Change-Id: I12cc467e5956a5deb29ac4bd43719db1c0ef8942
@wanghan-iapcm wanghan-iapcm merged commit 58c7674 into deepmodeling:devel Nov 30, 2021
Cloudac7 pushed a commit to Cloudac7/dpgen that referenced this pull request Dec 1, 2021
Change-Id: I12cc467e5956a5deb29ac4bd43719db1c0ef8942

Co-authored-by: Zhengju Sha <jenny@bytedance.com>
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