If you are computing temperature values which include inserted -particles, you will want to use the temp_modify +particles, you will want to use the compute_modify dynamic option, which insures the current number of atoms is used as a normalizing factor each time temperature is computed.
diff --git a/doc/fix_deposit.txt b/doc/fix_deposit.txt index 9f7c147b36..ae2bf0f75b 100644 --- a/doc/fix_deposit.txt +++ b/doc/fix_deposit.txt @@ -60,7 +60,7 @@ two groups: the default group "all" and the group specified in the fix deposit command (which can also be "all"). If you are computing temperature values which include inserted -particles, you will want to use the "temp_modify"_temp_modify.html +particles, you will want to use the "compute_modify"_compute_modify.html dynamic option, which insures the current number of atoms is used as a normalizing factor each time temperature is computed. diff --git a/doc/fix_rigid.html b/doc/fix_rigid.html index a209dd6cb2..2b51702a3b 100644 --- a/doc/fix_rigid.html +++ b/doc/fix_rigid.html @@ -74,8 +74,8 @@ contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a -temp_modify command (i.e. for a simulation of 10 -such rigid bodies, use "temp_modify mine extra -7", where 3 is the +compute_modify command (i.e. for a simulation of 10 +such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted).Note that this fix uses constant-energy integration, so you may need diff --git a/doc/fix_rigid.txt b/doc/fix_rigid.txt index e97f6a4958..db0b5f8720 100644 --- a/doc/fix_rigid.txt +++ b/doc/fix_rigid.txt @@ -67,8 +67,8 @@ contribution to the pressure virial is also accounted for. The latter is only correct if forces within the bodies have been turned off, and there is only a single fix rigid defined. For each linear rigid body of three or more atoms, one degree-of-freedom must be added using a -"temp_modify"_temp_modify.html command (i.e. for a simulation of 10 -such rigid bodies, use "temp_modify mine extra -7", where 3 is the +"compute_modify"_compute_modify.html command (i.e. for a simulation of 10 +such rigid bodies, use "compute_modify mine extra -7", where 3 is the default setting and -10 degrees-of-freedom are subtracted). Note that this fix uses constant-energy integration, so you may need