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This commit is contained in:
Steve Plimpton
2023-10-12 06:49:59 -06:00
parent 94a0d85b33
commit 201f8cda9a
8 changed files with 39 additions and 225 deletions
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51
src/dump_atom.cpp
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@ -91,9 +91,6 @@ void DumpAtom::init_style()
// setup function ptrs
if (scale_flag && triclinic_general)
error->all(FLERR,"Dump atom cannot use scale and triclinic/general settings");
if (binary && domain->triclinic == 0)
header_choice = &DumpAtom::header_binary;
else if (binary && triclinic_general == 1)
@ -107,26 +104,36 @@ void DumpAtom::init_style()
else if (!binary && domain->triclinic == 1)
header_choice = &DumpAtom::header_item_triclinic;
if (scale_flag == 1 && image_flag == 0 && domain->triclinic == 0)
pack_choice = &DumpAtom::pack_scale_noimage;
else if (scale_flag == 1 && image_flag == 1 && domain->triclinic == 0)
pack_choice = &DumpAtom::pack_scale_image;
if (scale_flag == 0) {
if (image_flag == 0) {
if (triclinic_general == 1) {
pack_choice = &DumpAtom::pack_noscale_noimage_triclinic_general;
} else {
pack_choice = &DumpAtom::pack_noscale_noimage;
}
} else if (image_flag == 1) {
if (triclinic_general == 1) {
pack_choice = &DumpAtom::pack_noscale_image_triclinic_general;
} else {
pack_choice = &DumpAtom::pack_noscale_image;
}
}
} else if (scale_flag == 1) {
if (image_flag == 0) {
if (domain->triclinic == 0) {
pack_choice = &DumpAtom::pack_scale_noimage;
} else {
pack_choice = &DumpAtom::pack_scale_noimage_triclinic;
}
} else if (image_flag == 1) {
if (domain->triclinic == 0) {
pack_choice = &DumpAtom::pack_scale_image;
} else {
pack_choice = &DumpAtom::pack_scale_image_triclinic;
}
}
}
else if (scale_flag == 0 && image_flag == 0 && triclinic_general == 1)
pack_choice = &DumpAtom::pack_noscale_noimage_triclinic_general;
else if (scale_flag == 0 && image_flag == 1 && triclinic_general == 1)
pack_choice = &DumpAtom::pack_noscale_image_triclinic_general;
else if (scale_flag == 1 && image_flag == 0 && domain->triclinic == 1)
pack_choice = &DumpAtom::pack_scale_noimage_triclinic;
else if (scale_flag == 1 && image_flag == 1 && domain->triclinic == 1)
pack_choice = &DumpAtom::pack_scale_image_triclinic;
else if (scale_flag == 0 && image_flag == 0)
pack_choice = &DumpAtom::pack_noscale_noimage;
else if (scale_flag == 0 && image_flag == 1)
pack_choice = &DumpAtom::pack_noscale_image;
if (image_flag == 0) convert_choice = &DumpAtom::convert_noimage;
else convert_choice = &DumpAtom::convert_image;