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Add option to prevent spaces between frames in 'nastruct' output. #804

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drroe merged 3 commits into from
Mar 11, 2020
Merged

Add option to prevent spaces between frames in 'nastruct' output. #804

drroe merged 3 commits into from
Mar 11, 2020

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@drroe drroe commented Mar 11, 2020

Intended to address #803. If noframespaces is specified to nastruct, spaces will not be printed between frames.

@drroe drroe self-assigned this Mar 11, 2020
@drroe drroe mentioned this pull request Mar 11, 2020
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drroe commented Mar 11, 2020

Intel compilers still not available on Jenkins. I ran my own tests (make test.showerrors) after compiling with Intel version 19.0.5.281 after ./configure -mkl intel --with-netcdf=$NETCDF_HOME:

===================== TEST SUMMARY ======================
  797 out of 798 comparisons OK (0 failed, 0 warnings, 1 skipped).
  434 out of 434 program executions completed.
  165 out of 167 tests completed with no issues.
  2 tests skipped.

Skipped tests/comparisons:
---------------------------------------------------------
  SKIP: Energy via sander API short tests (GB/PME)
  SKIP: SANDER energy tests (long)
  Skipped test: Amber Top/Rst => Mol2, SYBYL atom types
---------------------------------------------------------
=========================================================

I'm calling it good.

@drroe drroe merged commit 2a4a62c into Amber-MD:master Mar 11, 2020
@drroe drroe deleted the nastructspaces branch March 11, 2020 14:37
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