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"vscode:/vscode.git/clone" did not exist on "a42ecdc0eeb3e7adf1ed6400b0346f1fc0b6ed4d"
Commit ebcd9740 authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1748 from peastman/errors 

Fixed failing tests
parents 8469621f 7866986b
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Showing with 3 additions and 2 deletions
.travis.yml
View file @ ebcd9740
...@@ -105,7 +105,8 @@ before_install: ...@@ -105,7 +105,8 @@ before_install:
- wget https://anaconda.org/omnia/ccache/3.2.4/download/${TRAVIS_OS_NAME}-64/ccache-3.2.4-0.tar.bz2 - wget https://anaconda.org/omnia/ccache/3.2.4/download/${TRAVIS_OS_NAME}-64/ccache-3.2.4-0.tar.bz2
- mkdir -p $HOME/ccache && tar xf ccache-3.2.4-0.tar.bz2 -C $HOME/ccache - mkdir -p $HOME/ccache && tar xf ccache-3.2.4-0.tar.bz2 -C $HOME/ccache
- if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then
brew install doxygen fftw; brew install fftw;
brew install -y https://raw.githubusercontent.com/Homebrew/homebrew-core/5b680fb58fedfb00cd07a7f69f5a621bb9240f3b/Formula/doxygen.rb;
sudo easy_install pytest; sudo easy_install pytest;
fi fi
- if [[ "${TRAVIS_OS_NAME}" == "linux" ]]; then - if [[ "${TRAVIS_OS_NAME}" == "linux" ]]; then
......
tests/TestDispersionPME.h
View file @ ebcd9740
...@@ -1758,7 +1758,7 @@ void testWater125DpmeVsLongCutoffNoExclusions() { ...@@ -1758,7 +1758,7 @@ void testWater125DpmeVsLongCutoffNoExclusions() {
// is just 1.062 kJ/mol. The difference is due to the fact that arithmetic mean combination rules are used // is just 1.062 kJ/mol. The difference is due to the fact that arithmetic mean combination rules are used
// up to the cutoff, while the reciprocal space uses the geometric mean. See DOI: 10.1021/acs.jctc.5b00726 // up to the cutoff, while the reciprocal space uses the geometric mean. See DOI: 10.1021/acs.jctc.5b00726
ASSERT_EQUAL_TOL(refenergy, energy, 5E-6); ASSERT_EQUAL_TOL(refenergy, energy, 5E-5);
ASSERT_EQUAL_TOL(gromacs_energy, energy, 5E-4); ASSERT_EQUAL_TOL(gromacs_energy, energy, 5E-4);
for (int n = 0; n < numAtoms; ++n) for (int n = 0; n < numAtoms; ++n)
......
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