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Merge remote-tracking branch 'github/develop' into collected-small-fixes

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This commit is contained in:
Axel Kohlmeyer
2023-07-21 17:27:06 -04:00
parent 21d4be321a a4a206e601
commit cbee2dd86d
14 changed files with 104 additions and 74 deletions
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16
src/thermo.cpp
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@ -1134,8 +1134,8 @@ void Thermo::check_temp(const std::string &keyword)
if (!temperature)
error->all(FLERR, "Thermo keyword {} in variable requires thermo to use/init temperature",
keyword);
if (update->first_update == 0)
error->all(FLERR,"Thermo keyword {} cannot be invoked before first run",keyword);
if (!temperature->is_initialized())
error->all(FLERR,"Thermo keyword {} cannot be invoked before initialization by a run",keyword);
if (!(temperature->invoked_flag & Compute::INVOKED_SCALAR)) {
temperature->compute_scalar();
temperature->invoked_flag |= Compute::INVOKED_SCALAR;
@ -1153,8 +1153,8 @@ void Thermo::check_pe(const std::string &keyword)
if (!pe)
error->all(FLERR, "Thermo keyword {} in variable requires thermo to use/init potential energy",
keyword);
if (update->first_update == 0)
error->all(FLERR,"Thermo keyword {} cannot be invoked before first run",keyword);
if (!pe->is_initialized())
error->all(FLERR,"Thermo keyword {} cannot be invoked before initialization by a run",keyword);
if (!(pe->invoked_flag & Compute::INVOKED_SCALAR)) {
pe->compute_scalar();
pe->invoked_flag |= Compute::INVOKED_SCALAR;
@ -1169,8 +1169,8 @@ void Thermo::check_press_scalar(const std::string &keyword)
{
if (!pressure)
error->all(FLERR, "Thermo keyword {} in variable requires thermo to use/init press", keyword);
if (update->first_update == 0)
error->all(FLERR,"Thermo keyword {} cannot be invoked before first run",keyword);
if (!pressure->is_initialized())
error->all(FLERR,"Thermo keyword {} cannot be invoked before initialization by a run",keyword);
if (!(pressure->invoked_flag & Compute::INVOKED_SCALAR)) {
pressure->compute_scalar();
pressure->invoked_flag |= Compute::INVOKED_SCALAR;
@ -1185,8 +1185,8 @@ void Thermo::check_press_vector(const std::string &keyword)
{
if (!pressure)
error->all(FLERR, "Thermo keyword {} in variable requires thermo to use/init press", keyword);
if (update->first_update == 0)
error->all(FLERR,"Thermo keyword {} cannot be invoked before first run",keyword);
if (!pressure->is_initialized())
error->all(FLERR,"Thermo keyword {} cannot be invoked before initialization by a run",keyword);
if (!(pressure->invoked_flag & Compute::INVOKED_VECTOR)) {
pressure->compute_vector();
pressure->invoked_flag |= Compute::INVOKED_VECTOR;