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get access to the applied external force from the fix

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This commit is contained in:
Axel Kohlmeyer
2024-11-24 22:22:13 -05:00
parent 6c333837e0
commit 3f78ee72c6
4 changed files with 88 additions and 11 deletions
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24
unittest/c-library/test_library_external.cpp
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@ -123,6 +123,18 @@ TEST(lammps_external, callback)
EXPECT_DOUBLE_EQ(reduce[5], 1.4);
EXPECT_DOUBLE_EQ(reduce[6], 1.4);
double **fext =
(double **)lammps_extract_fix(handle, "ext", LMP_STYLE_ATOM, LMP_TYPE_ARRAY, 0, 0);
EXPECT_DOUBLE_EQ(fext[0][0], 10.0);
EXPECT_DOUBLE_EQ(fext[0][1], 10.0);
EXPECT_DOUBLE_EQ(fext[0][2], 10.0);
EXPECT_DOUBLE_EQ(fext[3][0], 10.0);
EXPECT_DOUBLE_EQ(fext[3][1], 10.0);
EXPECT_DOUBLE_EQ(fext[3][2], 10.0);
EXPECT_DOUBLE_EQ(fext[7][0], 10.0);
EXPECT_DOUBLE_EQ(fext[7][1], 10.0);
EXPECT_DOUBLE_EQ(fext[7][2], 10.0);
::testing::internal::CaptureStdout();
lammps_close(handle);
output = ::testing::internal::GetCapturedStdout();
@ -193,6 +205,18 @@ TEST(lammps_external, array)
EXPECT_DOUBLE_EQ(pe, 1.0 / 8.0);
EXPECT_DOUBLE_EQ(press, 0.15416666666666667);
double **fext =
(double **)lammps_extract_fix(handle, "ext", LMP_STYLE_ATOM, LMP_TYPE_ARRAY, 0, 0);
EXPECT_DOUBLE_EQ(fext[0][0], 6.0);
EXPECT_DOUBLE_EQ(fext[0][1], 6.0);
EXPECT_DOUBLE_EQ(fext[0][2], 6.0);
EXPECT_DOUBLE_EQ(fext[3][0], 6.0);
EXPECT_DOUBLE_EQ(fext[3][1], 6.0);
EXPECT_DOUBLE_EQ(fext[3][2], 6.0);
EXPECT_DOUBLE_EQ(fext[7][0], 6.0);
EXPECT_DOUBLE_EQ(fext[7][1], 6.0);
EXPECT_DOUBLE_EQ(fext[7][2], 6.0);
::testing::internal::CaptureStdout();
lammps_close(handle);
output = ::testing::internal::GetCapturedStdout();