working with lammps I noticed two little things in the latest source code.
First, in fix_ave_chunk.cpp (Rev 13234), line 730/779:
I was wondering if some conversion factors for computing the temperature might be missing. Earlier, the kinetic enery is computed and then divided by DoF but force->mvv2e/force->boltz are missing.
Second, I am unsure about the compatibility between pppm_tip4p and respa:
pppm_tip4p.cpp requires newton on (see line 55), and checks the flag force->newton.
But if used in a respa level, say ilevel, with newton[ilevel]=0 respa won't comm->reverse_comm() and no error/warning is generated.
Possible fix: respa.cpp (Rev 13234) add after line 312: