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Commit 2318eedc authored by Glen Hocky's avatar Glen Hocky
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eds module - update one of the regtests to use lower precision restart output...

eds module - update one of the regtests to use lower precision restart output to make regtest more portable
parent 3bb1ebb7
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...@@ -2,7 +2,7 @@ ...@@ -2,7 +2,7 @@
#! SET adaptive 1 #! SET adaptive 1
#! SET update_period 2 #! SET update_period 2
#! SET seed 0 #! SET seed 0
#! SET kbt 2.49 #! SET kbt 2.49434e+00
0.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 0.00 0.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 0.00 0.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 0.00 0.00 0.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 0.00000e+00 0.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 0.00000e+00 0.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 0.00000e+00 0.00000e+00
2.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 1.32 0.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 1.16 0.00 1.00 0.00 0.00 0.00 62.36 62.36 0.00 1.06 0.00 2.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 1.31759e+00 0.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 1.16462e+00 0.00000e+00 1.00000e+00 0.00000e+00 0.00000e+00 0.00000e+00 6.23585e+01 6.23585e+01 0.00000e+00 1.05876e+00 0.00000e+00
4.00 1.00 62.36 0.00 31.18 62.36 62.36 2562.60 0.00 0.00 1.00 -62.36 0.00 -31.18 62.36 62.36 41128499976253.16 0.00 0.00 1.00 62.36 0.00 31.18 62.36 62.36 10722.83 0.00 0.00 4.00000e+00 1.00000e+00 6.23585e+01 0.00000e+00 3.11792e+01 6.23585e+01 6.23585e+01 2.56260e+03 0.00000e+00 0.00000e+00 1.00000e+00 -6.23585e+01 0.00000e+00 -3.11792e+01 6.23585e+01 6.23585e+01 4.11285e+13 0.00000e+00 0.00000e+00 1.00000e+00 6.23585e+01 0.00000e+00 3.11792e+01 6.23585e+01 6.23585e+01 1.07228e+04 0.00000e+00 0.00000e+00
d1: DISTANCE ATOMS=1,2 d1: DISTANCE ATOMS=1,2
d2: DISTANCE ATOMS=2,3 d2: DISTANCE ATOMS=2,3
d3: DISTANCE ATOMS=3,4 d3: DISTANCE ATOMS=3,4
EDS ARG=d1,d2,d3 CENTER=1.0,1.0,1.0 LABEL=eds OUT_RESTART=eds_restart TEMP=300.0 LM LM_MIXING=0.5 MULTI_PROP=1 PERIOD=4 RESTART_FMT=%4.2f EDS ARG=d1,d2,d3 CENTER=1.0,1.0,1.0 LABEL=eds OUT_RESTART=eds_restart TEMP=300.0 LM LM_MIXING=0.5 MULTI_PROP=1 PERIOD=4 RESTART_FMT=%.5e
/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Copyright (c) 2018 of Glen Hocky and Andrew White Copyright (c) 2017 of Glen Hocky and Andrew White
The eds module is free software: you can redistribute it and/or modify The eds module is free software: you can redistribute it and/or modify
it under the terms of the GNU Lesser General Public License as published by it under the terms of the GNU Lesser General Public License as published by
......
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