Add minimize step with fix 1 all box/relax tri 0.0 to autotest/re…

…lax step (#631)

* fix typo in github actions release to conda

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

Change-Id: I17774bee345634e4e72bd783e8112eefaaf9f0d3

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

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

Co-authored-by: Han Wang <amcadmus@gmail.com>
Co-authored-by: felix5572 <felix5572@github.com>
Co-authored-by: shazj99 <shazj99@gmail.com>
Co-authored-by: Zhengju Sha <jenny@bytedance.com>
Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>

dpgen/auto_test/lib/lammps.py

@@ -241,6 +241,8 @@ def make_lammps_equi(conf, type_map, interaction, param,
         ret += "fix             1 all box/relax iso 0.0 \n"
         ret += "minimize        %e %e %d %d\n" % (etol, ftol, maxiter, maxeval)
         ret += "fix             1 all box/relax aniso 0.0 \n"
+        ret += "minimize        %e %e %d %d\n" % (etol, ftol, maxiter, maxeval)
+        ret += "fix             1 all box/relax tri 0.0 \n"
     ret += "minimize        %e %e %d %d\n" % (etol, ftol, maxiter, maxeval)
     ret += "variable        N equal count(all)\n"
     ret += "variable        V equal vol\n"