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recover compilation

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This commit is contained in:
Axel Kohlmeyer
2021-08-18 12:59:31 -04:00
parent c6819e30cf
commit c50abed92b
3 changed files with 28 additions and 17 deletions
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4
src/REACTION/fix_bond_react.cpp
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@ -2625,8 +2625,8 @@ void FixBondReact::unlimit_bond()
// let's now unlimit in terms of i_limit_tags
// we just run through all nlocal, looking for > limit_duration
// then we return i_limit_tag to 0 (which removes from dynamic group)
int flag,cols
int index1 = atom->find_custom("limit_tags",flag,cols);
int flag, cols;
int index1 = atom->find_custom("limit_tags",flag,cols);
int *i_limit_tags = atom->ivector[index1];
int *i_statted_tags;

2
src/fix_property_atom.cpp
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@ -250,7 +250,7 @@ void FixPropertyAtom::init()
void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf,
tagint id_offset)
{
int j,k,m,iword,ncol,nv;
int j,k,m,ncol;
tagint itag;
char *next;

39
unittest/formats/test_atom_styles.cpp
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@ -11,6 +11,7 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#include "../testing/core.h"
#include "atom.h"
#include "atom_vec_body.h"
#include "atom_vec_ellipsoid.h"
@ -24,7 +25,6 @@
#include "utils.h"
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "../testing/core.h"
#include <cmath>
#include <cstdio>
@ -48,7 +48,7 @@
using LAMMPS_NS::utils::split_words;
static void create_molecule_files(const std::string & h2o_filename, const std::string & co2_filename)
static void create_molecule_files(const std::string &h2o_filename, const std::string &co2_filename)
{
// create molecule files
const char h2o_file[] = "# Water molecule. SPC/E model.\n\n3 atoms\n2 bonds\n1 angles\n\n"
@ -95,11 +95,10 @@ using ::testing::Eq;
class AtomStyleTest : public LAMMPSTest {
protected:
static void SetUpTestSuite() {
create_molecule_files("h2o.mol", "co2.mol");
}
static void SetUpTestSuite() { create_molecule_files("h2o.mol", "co2.mol"); }
static void TearDownTestSuite() {
static void TearDownTestSuite()
{
remove("h2o.mol");
remove("co2.mol");
}
@ -237,8 +236,10 @@ struct AtomState {
bool has_dihedral = false;
bool has_improper = false;
bool has_iname = false;
bool has_dname = false;
bool has_ivname = false;
bool has_dvname = false;
bool has_ianame = false;
bool has_daname = false;
bool has_mass = false;
bool has_mass_setflag = false;
@ -444,8 +445,10 @@ void ASSERT_ATOM_STATE_EQ(Atom *atom, const AtomState &expected)
ASSERT_EQ(atom->nivector, expected.nivector);
ASSERT_EQ(atom->ndvector, expected.ndvector);
ASSERT_ARRAY_ALLOCATED(atom->iname, expected.has_iname);
ASSERT_ARRAY_ALLOCATED(atom->dname, expected.has_dname);
ASSERT_ARRAY_ALLOCATED(atom->ivname, expected.has_ivname);
ASSERT_ARRAY_ALLOCATED(atom->dvname, expected.has_dvname);
ASSERT_ARRAY_ALLOCATED(atom->ianame, expected.has_ianame);
ASSERT_ARRAY_ALLOCATED(atom->daname, expected.has_daname);
ASSERT_ARRAY_ALLOCATED(atom->mass, expected.has_mass);
ASSERT_ARRAY_ALLOCATED(atom->mass_setflag, expected.has_mass_setflag);
@ -4555,7 +4558,8 @@ TEST_F(AtomStyleTest, property_atom)
{
BEGIN_HIDE_OUTPUT();
command("atom_modify map array");
command("fix Properties all property/atom i_one d_two mol d_three q rmass ghost yes");
command("fix Properties all property/atom "
"i_one d_two mol d_three q rmass i2_four 2 d2_five 3 ghost yes");
END_HIDE_OUTPUT();
AtomState expected;
@ -4570,8 +4574,10 @@ TEST_F(AtomStyleTest, property_atom)
expected.has_x = true;
expected.has_v = true;
expected.has_f = true;
expected.has_iname = true;
expected.has_dname = true;
expected.has_ivname = true;
expected.has_dvname = true;
expected.has_ianame = true;
expected.has_daname = true;
expected.has_extra_grow = true;
expected.has_extra_restart = true;
expected.has_extra_border = true;
@ -4614,7 +4620,12 @@ TEST_F(AtomStyleTest, property_atom)
command("set atom 2 d_three -1.0");
command("set atom 3 d_three 0.5");
command("set atom 4 d_three 2.0");
command("set atom * d2_five[1] -5.9");
command("set atom * d2_five[2] 1.1e-2");
command("set atom * d2_five[3] .1");
command("set atom 1*2 i2_four[1] -2");
command("set atom 3*4 i2_four[1] -1");
command("set atom * i2_four[2] 2");
END_HIDE_OUTPUT();
expected.natoms = 4;
expected.nlocal = 4;