ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

apply clang-format to all headers with some exceptions

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

32
src/lattice.h
View File

@ -20,30 +20,30 @@ namespace LAMMPS_NS {
class Lattice : protected Pointers {
public:
enum{NONE,SC,BCC,FCC,HCP,DIAMOND,SQ,SQ2,HEX,CUSTOM};
enum { NONE, SC, BCC, FCC, HCP, DIAMOND, SQ, SQ2, HEX, CUSTOM };
int style; // NONE,SC,FCC,etc
double xlattice,ylattice,zlattice; // lattice scale factors in 3 dims
double a1[3],a2[3],a3[3]; // edge vectors of unit cell
int nbasis; // # of basis atoms in unit cell
double **basis; // fractional coords of each basis atom
// within unit cell (0 <= coord < 1)
int style; // NONE,SC,FCC,etc
double xlattice, ylattice, zlattice; // lattice scale factors in 3 dims
double a1[3], a2[3], a3[3]; // edge vectors of unit cell
int nbasis; // # of basis atoms in unit cell
double **basis; // fractional coords of each basis atom
// within unit cell (0 <= coord < 1)
Lattice(class LAMMPS *, int, char **);
~Lattice();
void lattice2box(double &, double &, double &);
void box2lattice(double &, double &, double &);
void bbox(int, double, double, double,
double &, double &, double &, double &, double &, double &);
void bbox(int, double, double, double, double &, double &, double &, double &, double &,
double &);
private:
private:
double scale;
double origin[3]; // lattice origin
int orientx[3]; // lattice orientation vecs
int orienty[3]; // orientx = what lattice dir lies
int orientz[3]; // along x dim in box
double origin[3]; // lattice origin
int orientx[3]; // lattice orientation vecs
int orienty[3]; // orientx = what lattice dir lies
int orientz[3]; // along x dim in box
double primitive[3][3]; // lattice <-> box transform matrices
double primitive[3][3]; // lattice <-> box transform matrices
double priminv[3][3];
double rotaterow[3][3];
double rotatecol[3][3];
@ -57,7 +57,7 @@ private:
void cross(double *, double *, double *);
};
}
} // namespace LAMMPS_NS
#endif