update remaining places that used to support -DLAMMPS_SMALLSMALL
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@ -136,10 +136,10 @@ IMPORTANT: If you re-build the library, e.g. for a different precision
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Makefile.linux clean, to ensure all previous derived files are removed
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before the new build is done.
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NOTE: The system-specific setting LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG,
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or LAMMPS_SMALLSMALL if specified when building LAMMPS (i.e. in
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src/MAKE/Makefile.foo) should be consistent with that specified
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when building libgpu.a (i.e. by LMP_INC in the lib/gpu/Makefile.bar).
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NOTE: The system-specific setting LAMMPS_SMALLBIG (default) or LAMMPS_BIGBIG
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- if specified when building LAMMPS (i.e. in src/MAKE/Makefile.foo) -
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should be consistent with that specified when building libgpu.a (i.e.
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by LMP_INC in the lib/gpu/Makefile.bar).
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------------------------------------------------------------------------------
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@ -23,7 +23,7 @@
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#include <cstring>
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// these must match settings in src/lmptype.h which builds LAMMPS with
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// -DLAMMPS_SMALLBIG (the default), -DLAMMPS_BIGBIG, or -DLAMMPS_SMALLSMALL
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// -DLAMMPS_SMALLBIG (the default) or -DLAMMPS_BIGBIG
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// you can edit the tools/Makefile to enforce the same setting
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// for the build of binary2txt, e.g.
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// g++ -g -DLAMMPS_BIGBIG binarytxt.o -o binary2txt
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@ -36,7 +36,7 @@
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#define PRId64 "ld"
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#endif
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#if !defined(LAMMPS_SMALLSMALL) && !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
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#if !defined(LAMMPS_BIGBIG) && !defined(LAMMPS_SMALLBIG)
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#define LAMMPS_SMALLBIG
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#endif
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@ -44,10 +44,6 @@
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typedef int tagint;
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typedef int64_t bigint;
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#define BIGINT_FORMAT "%" PRId64
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#elif defined(LAMMPS_SMALLSMALL)
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typedef int tagint;
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typedef int bigint;
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#define BIGINT_FORMAT "%d"
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#else /* LAMMPS_BIGBIG */
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typedef int64_t tagint;
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typedef int64_t bigint;
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@ -14,10 +14,7 @@ using ::testing::HasSubstr;
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using ::testing::StartsWith;
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extern "C" {
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#ifdef LAMMPS_SMALLSMALL
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typedef int32_t step_t;
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typedef int32_t tag_t;
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#elif LAMMPS_SMALLBIG
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#if LAMMPS_SMALLBIG
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using step_t = int64_t;
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using tag_t = int32_t;
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#else
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@ -127,15 +127,9 @@ TEST_F(LibraryProperties, thermo)
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const char *key = (const char *)lammps_last_thermo(lmp, "keyword", 0);
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EXPECT_THAT(key, StrEq("Step"));
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ival = *(int *)lammps_last_thermo(lmp, "type", 0);
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(ival, LAMMPS_INT);
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ival = *(int *)lammps_last_thermo(lmp, "data", 0);
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EXPECT_EQ(ival, 2);
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#else
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EXPECT_EQ(ival, LAMMPS_INT64);
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bval = *(bigint *)lammps_last_thermo(lmp, "data", 0);
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EXPECT_EQ(bval, 2);
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#endif
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key = (const char *)lammps_last_thermo(lmp, "keyword", 1);
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EXPECT_THAT(key, StrEq("Temp"));
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@ -253,11 +247,7 @@ TEST_F(LibraryProperties, box)
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TEST_F(LibraryProperties, setting)
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{
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(lammps_extract_setting(lmp, "bigint"), 4);
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#else
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EXPECT_EQ(lammps_extract_setting(lmp, "bigint"), 8);
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#endif
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#if defined(LAMMPS_BIGBIG)
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EXPECT_EQ(lammps_extract_setting(lmp, "tagint"), 8);
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EXPECT_EQ(lammps_extract_setting(lmp, "imageint"), 8);
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@ -375,15 +365,9 @@ TEST_F(LibraryProperties, global)
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char *c_ptr = (char *)lammps_extract_global(lmp, "units");
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EXPECT_THAT(c_ptr, StrEq("real"));
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(lammps_extract_global_datatype(lmp, "ntimestep"), LAMMPS_INT);
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int *i_ptr = (int *)lammps_extract_global(lmp, "ntimestep");
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EXPECT_EQ((*i_ptr), 2);
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#else
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EXPECT_EQ(lammps_extract_global_datatype(lmp, "ntimestep"), LAMMPS_INT64);
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auto *b_ptr = (int64_t *)lammps_extract_global(lmp, "ntimestep");
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EXPECT_EQ((*b_ptr), 2);
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#endif
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EXPECT_EQ(lammps_extract_global_datatype(lmp, "dt"), LAMMPS_DOUBLE);
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auto *d_ptr = (double *)lammps_extract_global(lmp, "dt");
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@ -85,11 +85,7 @@ TEST_F(LAMMPS_extract_global, units)
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TEST_F(LAMMPS_extract_global, ntimestep)
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{
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f_lammps_setup_extract_global();
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#ifdef LAMMPS_SMALLSMALL
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EXPECT_EQ(f_lammps_extract_global_ntimestep(), 0);
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#else
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EXPECT_EQ(f_lammps_extract_global_ntimestep_big(), 0l);
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#endif
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};
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TEST_F(LAMMPS_extract_global, dt)
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@ -134,17 +130,10 @@ TEST_F(LAMMPS_extract_global, boxprops)
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TEST_F(LAMMPS_extract_global, atomprops)
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{
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f_lammps_setup_extract_global();
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#ifdef LAMMPS_SMALLSMALL
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EXPECT_EQ(f_lammps_extract_global_natoms(), 2);
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EXPECT_EQ(f_lammps_extract_global_nbonds(), 0);
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EXPECT_EQ(f_lammps_extract_global_nangles(), 0);
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EXPECT_EQ(f_lammps_extract_global_ndihedrals(), 0);
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#else
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EXPECT_EQ(f_lammps_extract_global_natoms_big(), 2l);
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EXPECT_EQ(f_lammps_extract_global_nbonds_big(), 0l);
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EXPECT_EQ(f_lammps_extract_global_nangles_big(), 0l);
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EXPECT_EQ(f_lammps_extract_global_ndihedrals_big(), 0l);
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#endif
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EXPECT_EQ(f_lammps_extract_global_ntypes(), 1);
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EXPECT_EQ(f_lammps_extract_global_nlocal(), 2);
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@ -163,15 +152,8 @@ TEST_F(LAMMPS_extract_global, fullprops)
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if (!lammps_has_style(lmp, "atom", "full")) GTEST_SKIP();
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// This is not currently the world's most convincing test....
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f_lammps_setup_full_extract_global();
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#ifdef LAMMPS_SMALLSMALL
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EXPECT_EQ(f_lammps_extract_global_natoms(), 2);
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EXPECT_EQ(f_lammps_extract_global_nbonds(), 0);
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EXPECT_EQ(f_lammps_extract_global_nangles(), 0);
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EXPECT_EQ(f_lammps_extract_global_ndihedrals(), 0);
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#else
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EXPECT_EQ(f_lammps_extract_global_natoms_big(), 2l);
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EXPECT_EQ(f_lammps_extract_global_nbonds_big(), 0l);
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EXPECT_EQ(f_lammps_extract_global_nangles_big(), 0l);
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EXPECT_EQ(f_lammps_extract_global_ndihedrals_big(), 0l);
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#endif
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}
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@ -98,11 +98,7 @@ TEST_F(LAMMPS_thermo, last_thermo)
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thermostr = (char *)f_lammps_last_thermo_string(6);
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EXPECT_STREQ(thermostr, "Press");
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free(thermostr);
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(f_lammps_last_thermo_type(1), multitype::LAMMPS_INT);
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#else
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EXPECT_EQ(f_lammps_last_thermo_type(1), multitype::LAMMPS_INT64);
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#endif
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EXPECT_EQ(f_lammps_last_thermo_int(1), 15);
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EXPECT_EQ(f_lammps_last_thermo_type(2), multitype::LAMMPS_DOUBLE);
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EXPECT_EQ(f_lammps_last_thermo_type(3), multitype::LAMMPS_DOUBLE);
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@ -77,11 +77,7 @@ TEST_F(LAMMPS_properties, get_mpi_comm)
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TEST_F(LAMMPS_properties, extract_setting)
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{
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(f_lammps_extract_setting("bigint"), 4);
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#else
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EXPECT_EQ(f_lammps_extract_setting("bigint"), 8);
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#endif
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#if defined(LAMMPS_BIGBIG)
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EXPECT_EQ(f_lammps_extract_setting("tagint"), 8);
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EXPECT_EQ(f_lammps_extract_setting("imageint"), 8);
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@ -25,11 +25,7 @@ TEST(Types, ubuf)
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double buf[3];
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double d1 = 0.1;
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int i1 = -10;
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#if defined(LAMMPS_SMALLSMALL)
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bigint b1 = 2048;
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#else
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bigint b1 = (1L << 58) + (1L << 50);
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#endif
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buf[0] = d1;
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buf[1] = ubuf(i1).d;
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buf[2] = ubuf(b1).d;
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@ -58,11 +54,7 @@ TEST(Types, multitype)
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EXPECT_EQ(m[1].type, multitype::LAMMPS_INT);
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EXPECT_EQ(m[2].type, multitype::LAMMPS_DOUBLE);
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#if defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(m[3].type, multitype::LAMMPS_INT);
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#else
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EXPECT_EQ(m[3].type, multitype::LAMMPS_INT64);
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#endif
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EXPECT_EQ(m[4].type, multitype::LAMMPS_INT);
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EXPECT_EQ(m[5].type, multitype::LAMMPS_DOUBLE);
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EXPECT_EQ(m[6].type, multitype::LAMMPS_NONE);
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@ -71,9 +63,7 @@ TEST(Types, multitype)
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EXPECT_EQ(m[1].data.i, i1);
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EXPECT_EQ(m[2].data.d, d1);
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#if !defined(LAMMPS_SMALLSMALL)
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EXPECT_EQ(m[3].data.b, -((1L << 40) + (1L << 50)));
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#endif
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EXPECT_EQ(m[4].data.i, -1023);
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EXPECT_EQ(m[5].data.d, -2.225);
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}
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