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@amcadmus amcadmus released this 10 Dec 14:31
· 412 commits to master since this release
v0.10.3
93b833a
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Learn about vigilant mode.

New features:

  • support dp compress (#607)
  • Adapt different trust level for different sys_configs (#609)

Enhancement:

  • Several enhancement in gromacs engine (#553)
  • autotest: run relaxation tasks in parallel (#573)
  • update abacus-scf generator (#575)
  • add lebesgue ch4 example (#571)
  • model_devi_clean_traj support int type (#583)
  • add a citation badge (#589)
  • bump dpdata version to 0.2.4 (#595)
  • change compress level to 6 from default 9 to accelerate compress (#593)

Bug fixings:

  • Update gen.py | compatibility with VASP (#529)
  • bug_fix | init_bulk | stages 3 | lost the last pert-dir in stages 2 (#530)
  • ssh: archieve files the symlink points to instead of symlink iteself (#552)
  • Change mv to cp when downloading softlinks. (#562)
  • fix the usage of pair_coeff (#567)
  • Fix examples in INCAR_md and POTCAR (#570)
  • fix dispatcher bugs in autotest run (#568)
  • autotest: fix early return and result checking (#574)
  • autotest: rename task directory to avoid false result in a rerun (#572)
  • Fix bug in make_submission of Auto-test (#577)
  • Add ase, custodian, GromacsWrapper in conda packages. (#578)
  • remove jr.json to allow rerun in autotest make (#579)
  • will convert local_root's './' to abspath to avoid hash conflict in new dpdispatcher (#582)
  • fix bug issue: #597 (#598)
  • init_bulk: skip relax if skip_relax is true (#594)
  • bug_fix | to support multi-element cases (#608)
  • bug_fix | typo in setting default KSPACING (#611)
  • model_devi | sort models in default&support user-defined order (#610)
Assets 2
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