Fix the bug in PWmat-MOVEMENT converter

[liuliping0315]

Etot in PWmat molecular dynamics: Ep + Ek. (Ep: potential energy; Ek: kinetic energy)
The old version "movement.py" read the Etot=Ep+Ek in MOVEMENT, change it to Ep. (Ep is DFT total energy)
The forces in PWmat-MOVEMENT are dE/dR, lacking a minus sign, add '-' in this commit.

[amcadmus]

Hi @liuliping0315 Thanks a lot for contributing.
Could you please fix the issues in the unittest? Thank you very much

[liuliping0315]

thanks for reminding me. I will correct the values in the test suit. ***@***.*** From: Han Wang Date: 2021-04-17 14:08 To: deepmodeling/dpdata CC: LiuLiping; Mention Subject: Re: [deepmodeling/dpdata] Fix the bug in PWmat-MOVEMENT converter (#138) Hi @liuliping0315 Thanks a lot for contributing. Could you please fix the issues in the unittest? Thank you very much — You are receiving this because you were mentioned. Reply to this email directly, view it on GitHub, or unsubscribe.

[codecov-commenter]

Codecov Report

Merging #138 (d9dfce2) into devel (3443aec) will not change coverage.
The diff coverage is 100.00%.

@@           Coverage Diff           @@
##            devel     #138   +/-   ##
=======================================
  Coverage   84.36%   84.36%           
=======================================
  Files          28       28           
  Lines        3326     3326           
=======================================
  Hits         2806     2806           
  Misses        520      520           

Impacted Files	Coverage Δ
dpdata/pwmat/movement.py	77.77% <100.00%> (ø)

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