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gromacs-colorvec.git
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author
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 15:49:41 +0000
(18:49 +0300)
committer
Anatoly
<Titov_AI@pnpi.nrcki.ru>
Wed, 21 Oct 2020 15:49:41 +0000
(18:49 +0300)
src/colorvec.cpp
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diff --git
a/src/colorvec.cpp
b/src/colorvec.cpp
index 4cae924da3cf103f78d7627dc917b43652dc4335..3a6b835ebd605e1873c05ca3cbff45673b85d8a7 100644
(file)
--- a/
src/colorvec.cpp
+++ b/
src/colorvec.cpp
@@
-291,7
+291,9
@@
void anglesFileDump(const int frameNum, const std::string &output, const std::ve
} else {
file << std::setw(4) << "no";
}
} else {
file << std::setw(4) << "no";
}
- file << std::setw(8) << std::setprecision(2) << colorFormation[i].a12 << std::setw(8) << colorFormation[i].b12 << std::setw(8) << colorFormation[i].n12;
+ file << std::setw(8) << std::setprecision(3) << colorFormation[i].a12;
+ file << std::setw(8) << std::setprecision(3) << colorFormation[i].b12;
+ file << std::setw(8) << std::setprecision(3) << colorFormation[i].n12;
temp = colorFormation[i].betaAngles.size() / 6;
if (temp == 0) {
file << std::setw(4) << 0;
temp = colorFormation[i].betaAngles.size() / 6;
if (temp == 0) {
file << std::setw(4) << 0;
@@
-305,10
+307,10
@@
void anglesFileDump(const int frameNum, const std::string &output, const std::ve
}
file << std::setw(4) << temp;
for (size_t j = 0; j < betaTemp.size(); ++j) {
}
file << std::setw(4) << temp;
for (size_t j = 0; j < betaTemp.size(); ++j) {
- file << std::setw(8) << std::setprecision(
2
) << betaTemp[j];
+ file << std::setw(8) << std::setprecision(
3
) << betaTemp[j];
}
for (size_t j = 0; j < colorFormation[i].betaAngles.size(); ++j) {
}
for (size_t j = 0; j < colorFormation[i].betaAngles.size(); ++j) {
- file << std::setw(8) << std::setprecision(
2
) << colorFormation[i].betaAngles[j];
+ file << std::setw(8) << std::setprecision(
3
) << colorFormation[i].betaAngles[j];
}
}
file << std::endl;
}
}
file << std::endl;