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Unverified Commit 7398e5a3 authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2594 from peastman/dimertest 

Made a test case more reliable
parents c5c0348a 32e7dcf3
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tests/TestNoseHooverThermostat.h
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...@@ -165,7 +165,7 @@ void testDimerBox(bool constrain=true) { ...@@ -165,7 +165,7 @@ void testDimerBox(bool constrain=true) {
context.setPositions(positions); context.setPositions(positions);
context.setVelocitiesToTemperature(temperature); context.setVelocitiesToTemperature(temperature);
int nSteps = 1500; int nSteps = 5000;
double mean_temp = 0.0; double mean_temp = 0.0;
std::vector<double> energies(nSteps); std::vector<double> energies(nSteps);
for (int i = 0; i < nSteps; ++i) { for (int i = 0; i < nSteps; ++i) {
...@@ -195,7 +195,7 @@ void testDimerBox(bool constrain=true) { ...@@ -195,7 +195,7 @@ void testDimerBox(bool constrain=true) {
// Check mean temperature // Check mean temperature
ASSERT_USUALLY_EQUAL_TOL(temperature, mean_temp, 1e-2); ASSERT_USUALLY_EQUAL_TOL(temperature, mean_temp, 1e-2);
// Check fluctuation of conserved (total bath + system) energy // Check fluctuation of conserved (total bath + system) energy
ASSERT_USUALLY_EQUAL_TOL(relative_std, 0, 5e-4); ASSERT_USUALLY_EQUAL_TOL(relative_std, 0, 1e-3);
} }
void testCheckpoints() { void testCheckpoints() {
......
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