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read/write settings in restart files for bonded hybrid styles

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this allows to properly restart table styles, which require
additional settings unlike all other bonded styles.
This commit is contained in:
Axel Kohlmeyer
2019-07-25 07:55:39 -04:00
parent 5ca93e3651
commit f86d2c9934
5 changed files with 9 additions and 1 deletions
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2
src/angle_hybrid.cpp
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@ -324,6 +324,7 @@ void AngleHybrid::write_restart(FILE *fp)
n = strlen(keywords[m]) + 1; n = strlen(keywords[m]) + 1;
fwrite(&n,sizeof(int),1,fp); fwrite(&n,sizeof(int),1,fp);
fwrite(keywords[m],sizeof(char),n,fp); fwrite(keywords[m],sizeof(char),n,fp);
styles[m]->write_restart_settings(fp);
} }
} }
@ -349,6 +350,7 @@ void AngleHybrid::read_restart(FILE *fp)
if (me == 0) fread(keywords[m],sizeof(char),n,fp); if (me == 0) fread(keywords[m],sizeof(char),n,fp);
MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world);
styles[m] = force->new_angle(keywords[m],0,dummy); styles[m] = force->new_angle(keywords[m],0,dummy);
styles[m]->read_restart_settings(fp);
} }
} }

2
src/bond_hybrid.cpp
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@ -325,6 +325,7 @@ void BondHybrid::write_restart(FILE *fp)
n = strlen(keywords[m]) + 1; n = strlen(keywords[m]) + 1;
fwrite(&n,sizeof(int),1,fp); fwrite(&n,sizeof(int),1,fp);
fwrite(keywords[m],sizeof(char),n,fp); fwrite(keywords[m],sizeof(char),n,fp);
styles[m]->write_restart_settings(fp);
} }
} }
@ -350,6 +351,7 @@ void BondHybrid::read_restart(FILE *fp)
if (me == 0) fread(keywords[m],sizeof(char),n,fp); if (me == 0) fread(keywords[m],sizeof(char),n,fp);
MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world);
styles[m] = force->new_bond(keywords[m],0,dummy); styles[m] = force->new_bond(keywords[m],0,dummy);
styles[m]->read_restart_settings(fp);
} }
} }

2
src/dihedral_hybrid.cpp
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@ -309,6 +309,7 @@ void DihedralHybrid::write_restart(FILE *fp)
n = strlen(keywords[m]) + 1; n = strlen(keywords[m]) + 1;
fwrite(&n,sizeof(int),1,fp); fwrite(&n,sizeof(int),1,fp);
fwrite(keywords[m],sizeof(char),n,fp); fwrite(keywords[m],sizeof(char),n,fp);
styles[m]->write_restart_settings(fp);
} }
} }
@ -334,6 +335,7 @@ void DihedralHybrid::read_restart(FILE *fp)
if (me == 0) fread(keywords[m],sizeof(char),n,fp); if (me == 0) fread(keywords[m],sizeof(char),n,fp);
MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world);
styles[m] = force->new_dihedral(keywords[m],0,dummy); styles[m] = force->new_dihedral(keywords[m],0,dummy);
styles[m]->read_restart_settings(fp);
} }
} }

2
src/improper_hybrid.cpp
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@ -306,6 +306,7 @@ void ImproperHybrid::write_restart(FILE *fp)
n = strlen(keywords[m]) + 1; n = strlen(keywords[m]) + 1;
fwrite(&n,sizeof(int),1,fp); fwrite(&n,sizeof(int),1,fp);
fwrite(keywords[m],sizeof(char),n,fp); fwrite(keywords[m],sizeof(char),n,fp);
styles[m]->write_restart_settings(fp);
} }
} }
@ -331,6 +332,7 @@ void ImproperHybrid::read_restart(FILE *fp)
if (me == 0) fread(keywords[m],sizeof(char),n,fp); if (me == 0) fread(keywords[m],sizeof(char),n,fp);
MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world);
styles[m] = force->new_improper(keywords[m],0,dummy); styles[m] = force->new_improper(keywords[m],0,dummy);
styles[m]->read_restart_settings(fp);
} }
} }