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guard against not setting extscalar, extvector, or extarray when required

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Axel Kohlmeyer
2024-04-22 19:55:52 -04:00
parent d896f307ba
commit a88e8757e3
4 changed files with 38 additions and 3 deletions
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9
src/modify.cpp
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@ -188,6 +188,8 @@ void Modify::init()
// since any of them may be invoked by initial thermo
// do not clear out invocation times stored within a compute,
// b/c some may be holdovers from previous run, like for ave fixes
// perform check whether extscalar, extvector, and extarray have been
// set when scalar_flag, vector_flag, or array_flag are true.
for (i = 0; i < ncompute; i++) {
compute[i]->init();
@ -200,8 +202,13 @@ void Modify::init()
// used to b/c temperature computes called fix->dof() in their init,
// and fix rigid required its own init before its dof() could be called,
// but computes now do their DOF in setup()
// perform check whether extscalar, extvector, and extarray have been
// set when scalar_flag, vector_flag, or array_flag are true.
for (i = 0; i < nfix; i++) fix[i]->init();
for (i = 0; i < nfix; i++) {
fix[i]->init();
fix[i]->init_flags();
}
// set global flag if any fix has its restart_pbc flag set