diff --git a/src/MESSAGE/fix_client_md.cpp b/src/MESSAGE/fix_client_md.cpp index b85c7f8f764797612f66cf426418ebc4fae3ba81..97d0436a27b2b597d4e53965a630b20051bd6bf3 100644 --- a/src/MESSAGE/fix_client_md.cpp +++ b/src/MESSAGE/fix_client_md.cpp @@ -64,13 +64,12 @@ FixClientMD::FixClientMD(LAMMPS *lmp, int narg, char **arg) : // unit conversion factors for REAL // otherwise not needed + // message received in METAL units, convert to local REAL units fconvert = econvert = vconvert = 1.0; if (units == REAL) { - // NOTE: still need to set these - fconvert = 1.0; - econvert = 1.0; - vconvert = 1.0; + fconvert = econvert = 23.06035; + vconvert = 0.986923; } } diff --git a/src/MESSAGE/server_md.cpp b/src/MESSAGE/server_md.cpp index acdc06a0e92535584aa44da5deaa7bc88179f381..340431021b8a13fcaed7b79509c80ccea9d7f07f 100644 --- a/src/MESSAGE/server_md.cpp +++ b/src/MESSAGE/server_md.cpp @@ -55,13 +55,12 @@ ServerMD::ServerMD(LAMMPS *lmp) : Pointers(lmp) // unit conversion factors for REAL // otherwise not needed + // local computation in REAL units, send message in METAL units fconvert = econvert = vconvert = 1.0; if (units == REAL) { - // NOTE: still need to set these - fconvert = 1.0; - econvert = 1.0; - vconvert = 1.0; + fconvert = econvert = 1.0 / 23.06035; + vconvert = 1.0 / 0.986923; } fcopy = NULL;