diff --git a/QA/tests/had/had_md.rst b/QA/tests/had/had_md.rst index 1d35c9cf2c..bcf0930fe7 100644 --- a/QA/tests/had/had_md.rst +++ b/QA/tests/had/had_md.rst @@ -8,14 +8,7 @@ NWChem:nwARGOS input .243935024108E+03 .000000000000E+00 .000000000000E+00 .000000000000E+00 .210602654560E+03 .000000000000E+00 .000000000000E+00 .000000000000E+00 .224911394421E+03 - 12128 3 18 4875 258 0 0 108 - 6 6 6 - .119523686194E+01 .239047372385E+01 .341699164603E+01 .444350956820E+01 - .590046098965E+01 .735741241114E+01 - .133992233729E+01 .239409313701E+01 .339484452339E+01 .440648760274E+01 - .561540889841E+01 .735741241114E+01 - .167992800675E+01 .268448848320E+01 .370847920636E+01 .471503954142E+01 - .574098501002E+01 .735741241114E+01 + 12128 3 18 4875 258 0 0 0 -.43928573 -1.29927852 -.86831185 -.43211864 -1.21705109 -.81185577 -.34771504 -1.33413096 -.88831493 .01505416 -.67675349 -.44876576 .07725244 -.61776378 -.39727211 .03397996 -.66793983 -.54656219 @@ -47562,709 +47555,3 @@ NWChem:nwARGOS input 00000000000000000000000000000000000000000000000000000000000000000000000000000000 00000000000000000000000000000000000000000000000000000000000000000000000000000000 000000000000000000000000000000000000000000000000000000000000000000000000000 - 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