From a1b082b37d79aba72ffe3a795a9bb647cb0a7798 Mon Sep 17 00:00:00 2001 From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Fri, 12 Oct 2007 17:34:53 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1034 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/fix_deposit.cpp | 40 ++++++++++++++++++++++++++++++++++++++++ src/fix_deposit.h | 2 ++ src/random_park.cpp | 16 ++++++++++++++++ src/random_park.h | 2 ++ 4 files changed, 60 insertions(+) diff --git a/src/fix_deposit.cpp b/src/fix_deposit.cpp index fbaa5f4b81..396be0acb6 100644 --- a/src/fix_deposit.cpp +++ b/src/fix_deposit.cpp @@ -36,6 +36,8 @@ FixDeposit::FixDeposit(LAMMPS *lmp, int narg, char **arg) : { if (narg < 7) error->all("Illegal fix deposit command"); + restart_global = 1; + // required args ninsert = atoi(arg[3]); @@ -315,6 +317,7 @@ void FixDeposit::pre_exchange() } // next timestep to insert + // next_reneighbor = 0 if done if (success) ninserted++; if (ninserted < ninsert) next_reneighbor += nfreq; @@ -388,3 +391,40 @@ void FixDeposit::options(int narg, char **arg) } else error->all("Illegal fix deposit command"); } } + +/* ---------------------------------------------------------------------- + pack entire state of Fix into one write +------------------------------------------------------------------------- */ + +void FixDeposit::write_restart(FILE *fp) +{ + int n = 0; + double list[4]; + list[n++] = random->state(); + list[n++] = ninserted; + list[n++] = nfirst; + list[n++] = next_reneighbor; + + if (comm->me == 0) { + int size = n * sizeof(double); + fwrite(&size,sizeof(int),1,fp); + fwrite(&list,sizeof(double),n,fp); + } +} + +/* ---------------------------------------------------------------------- + use state info from restart file to restart the Fix +------------------------------------------------------------------------- */ + +void FixDeposit::restart(char *buf) +{ + int n = 0; + double *list = (double *) buf; + + seed = static_cast<int> (list[n++]); + ninserted = static_cast<int> (list[n++]); + nfirst = static_cast<int> (list[n++]); + next_reneighbor = static_cast<int> (list[n++]); + + random->reset(seed); +} diff --git a/src/fix_deposit.h b/src/fix_deposit.h index cb0b685474..211469c903 100644 --- a/src/fix_deposit.h +++ b/src/fix_deposit.h @@ -24,6 +24,8 @@ class FixDeposit : public Fix { ~FixDeposit(); int setmask(); void pre_exchange(); + void write_restart(FILE *); + void restart(char *); private: int ninsert,ntype,nfreq,seed; diff --git a/src/random_park.cpp b/src/random_park.cpp index 0c01d1eb8c..385f65c3c1 100644 --- a/src/random_park.cpp +++ b/src/random_park.cpp @@ -85,6 +85,15 @@ double RanPark::gaussian() return first; } +/* ---------------------------------------------------------------------- */ + +void RanPark::reset(int seed_init) +{ + if (seed_init <= 0) error->all("Invalid seed for Park random # generator"); + seed = seed_init; + save = 0; +} + /* ---------------------------------------------------------------------- reset the seed based on atom position within box and ibase = caller seed combine 3 RNGs based on fractional position in box into one new seed @@ -135,3 +144,10 @@ void RanPark::reset(int ibase, double *coord) uniform(); uniform(); } + +/* ---------------------------------------------------------------------- */ + +int RanPark::state() +{ + return seed; +} diff --git a/src/random_park.h b/src/random_park.h index e78b8c4f60..8df467000a 100644 --- a/src/random_park.h +++ b/src/random_park.h @@ -23,7 +23,9 @@ class RanPark : protected Pointers { RanPark(class LAMMPS *, int); double uniform(); double gaussian(); + void reset(int); void reset(int, double *); + int state(); private: int seed,save;