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simplify fix instance creation

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This commit is contained in:
Axel Kohlmeyer
2021-07-29 15:18:58 -04:00
parent 520109bda0
commit dcff3d70e0
3 changed files with 8189 additions and 9 deletions
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8122
examples/tracker/reference/contact_history.dat Normal file
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65
examples/tracker/reference/lifetime_hist.dat Normal file
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@ -0,0 +1,65 @@
# Histogrammed data for fix 3
# TimeStep Number-of-bins Total-counts Missing-counts Min-value Max-value
# Bin Coord Count Count/Total
0 30 0 0 1e+20 -1e+20
1 0.1 0 0
2 0.3 0 0
3 0.5 0 0
4 0.7 0 0
5 0.9 0 0
6 1.1 0 0
7 1.3 0 0
8 1.5 0 0
9 1.7 0 0
10 1.9 0 0
11 2.1 0 0
12 2.3 0 0
13 2.5 0 0
14 2.7 0 0
15 2.9 0 0
16 3.1 0 0
17 3.3 0 0
18 3.5 0 0
19 3.7 0 0
20 3.9 0 0
21 4.1 0 0
22 4.3 0 0
23 4.5 0 0
24 4.7 0 0
25 4.9 0 0
26 5.1 0 0
27 5.3 0 0
28 5.5 0 0
29 5.7 0 0
30 5.9 0 0
1000 30 8122 0 0.5 5
1 0.1 0 0
2 0.3 0 0
3 0.5 910 0.112041
4 0.7 1253 0.154272
5 0.9 953 0.117336
6 1.1 747 0.0919724
7 1.3 559 0.0688254
8 1.5 501 0.0616843
9 1.7 421 0.0518345
10 1.9 356 0.0438316
11 2.1 300 0.0369367
12 2.3 281 0.0345974
13 2.5 242 0.0297956
14 2.7 226 0.0278257
15 2.9 175 0.0215464
16 3.1 168 0.0206846
17 3.3 162 0.0199458
18 3.5 129 0.0158828
19 3.7 151 0.0185915
20 3.9 137 0.0168678
21 4.1 98 0.012066
22 4.3 104 0.0128047
23 4.5 83 0.0102192
24 4.7 77 0.00948042
25 4.9 86 0.0105885
26 5.1 3 0.000369367
27 5.3 0 0
28 5.5 0 0
29 5.7 0 0
30 5.9 0 0

11
src/MISC/pair_tracker.cpp
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@ -283,15 +283,8 @@ void PairTracker::init_style()
// this is so its order in the fix list is preserved
if (fix_history == nullptr) {
char dnumstr[16];
sprintf(dnumstr, "%d", size_history);
char **fixarg = new char *[4];
fixarg[0] = (char *) "NEIGH_HISTORY_TRACK";
fixarg[1] = (char *) "all";
fixarg[2] = (char *) "NEIGH_HISTORY";
fixarg[3] = dnumstr;
modify->replace_fix("NEIGH_HISTORY_TRACK_DUMMY", 4, fixarg, 1);
delete[] fixarg;
modify->replace_fix("NEIGH_HISTORY_TRACK_DUMMY",
fmt::format("NEIGH_HISTORY_TRACK all NEIGH_HISTORY {}", size_history), 1);
int ifix = modify->find_fix("NEIGH_HISTORY_TRACK");
fix_history = (FixNeighHistory *) modify->fix[ifix];
fix_history->pair = this;