fix int vs. bigint issue and add NULL file pointer check to dynamical_matrix

This commit is contained in:
Axel Kohlmeyer
2019-03-01 09:46:13 -05:00
parent 30ee2f3d78
commit 5ecbb8bd01
2 changed files with 6 additions and 5 deletions

View File

@ -316,9 +316,10 @@ void DynamicalMatrix::calculateMatrix()
void DynamicalMatrix::writeMatrix(double **dynmat)
{
if (me != 0)
return;
if (me != 0 || fp == NULL) return;
// print file comment lines
if (!binaryflag && fp) {
clearerr(fp);
for (int i = 0; i < 3; i++) {

View File

@ -54,10 +54,10 @@ namespace LAMMPS_NS {
double conv_mass;
double del;
int igroup,groupbit;
int gcount; // number of atoms in group
bigint gcount; // number of atoms in group
bigint dynlen; // rank of dynamical matrix
int scaleflag;
int me;
bigint dynlen;
int *groupmap;
int compressed; // 1 if dump file is written compressed, 0 no
@ -71,4 +71,4 @@ namespace LAMMPS_NS {
#endif //LMP_DYNAMICAL_MATRIX_H
#endif
#endif