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apply clang-format to all headers with some exceptions

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This commit is contained in:
Axel Kohlmeyer
2021-05-14 19:16:07 -04:00
parent 60e41a90c2
commit 7fcd449864
1651 changed files with 15108 additions and 15948 deletions
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44
src/MC/fix_widom.h
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@ -48,23 +48,23 @@ class FixWidom : public Fix {
void grow_molecule_arrays(int);
private:
int molecule_group,molecule_group_bit;
int molecule_group, molecule_group_bit;
int molecule_group_inversebit;
int exclusion_group,exclusion_group_bit;
int nwidom_type,nevery,seed;
int exclusion_group, exclusion_group_bit;
int nwidom_type, nevery, seed;
int ninsertions;
int ngas; // # of gas atoms on all procs
int ngas_local; // # of gas atoms on this proc
int exchmode; // exchange ATOM or MOLECULE
int movemode; // move ATOM or MOLECULE
int regionflag; // 0 = anywhere in box, 1 = specific region
int iregion; // widom region
char *idregion; // widom region id
bool charge_flag; // true if user specified atomic charge
bool full_flag; // true if doing full system energy calculations
int ngas; // # of gas atoms on all procs
int ngas_local; // # of gas atoms on this proc
int exchmode; // exchange ATOM or MOLECULE
int movemode; // move ATOM or MOLECULE
int regionflag; // 0 = anywhere in box, 1 = specific region
int iregion; // widom region
char *idregion; // widom region id
bool charge_flag; // true if user specified atomic charge
bool full_flag; // true if doing full system energy calculations
int natoms_per_molecule; // number of atoms in each inserted molecule
int nmaxmolatoms; // number of atoms allocated for molecule arrays
int natoms_per_molecule; // number of atoms in each inserted molecule
int nmaxmolatoms; // number of atoms allocated for molecule arrays
double ave_widom_chemical_potential;
@ -72,13 +72,13 @@ class FixWidom : public Fix {
int max_region_attempts;
double gas_mass;
double insertion_temperature;
double beta,sigma,volume;
double beta, sigma, volume;
double charge;
double xlo,xhi,ylo,yhi,zlo,zhi;
double region_xlo,region_xhi,region_ylo,region_yhi,region_zlo,region_zhi;
double xlo, xhi, ylo, yhi, zlo, zhi;
double region_xlo, region_xhi, region_ylo, region_yhi, region_zlo, region_zhi;
double region_volume;
double energy_stored; // full energy of old/current configuration
double *sublo,*subhi;
double energy_stored; // full energy of old/current configuration
double *sublo, *subhi;
int *local_gas_list;
double **cutsq;
double **molcoords;
@ -95,15 +95,15 @@ class FixWidom : public Fix {
class Atom *model_atom;
class Molecule **onemols;
int imol,nmol;
int triclinic; // 0 = orthog box, 1 = triclinic
int imol, nmol;
int triclinic; // 0 = orthog box, 1 = triclinic
class Compute *c_pe;
void options(int, char **);
};
}
} // namespace LAMMPS_NS
#endif
#endif