Unverified Commit 5ecbb8bd authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent 30ee2f3d

src/USER-PHONON/dynamical_matrix.cpp

+3 −2
Original line number Diff line number Diff line
@@ -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++) {

src/USER-PHONON/dynamical_matrix.h

+3 −3
Original line number Diff line number Diff line
@@ -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

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