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📄 thpuma.cc

📁 大型并行量子化学软件;支持密度泛函(DFT)。可以进行各种量子化学计算。支持CHARMM并行计算。非常具有应用价值。
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//// thpuma.cc//// Copyright (C) 1997 Limit Point Systems, Inc.//// Author: Edward Seidl <seidl@janed.com>// Maintainer: LPS//// This file is part of the SC Toolkit.//// The SC Toolkit is free software; you can redistribute it and/or modify// it under the terms of the GNU Library General Public License as published by// the Free Software Foundation; either version 2, or (at your option)// any later version.//// The SC Toolkit is distributed in the hope that it will be useful,// but WITHOUT ANY WARRANTY; without even the implied warranty of// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the// GNU Library General Public License for more details.//// You should have received a copy of the GNU Library General Public License// along with the SC Toolkit; see the file COPYING.LIB.  If not, write to// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.//// The U.S. Government is granted a limited license as per AL 91-7.//#ifdef __GNUC__#pragma implementation#endifextern "C" {#include <userp.h>#include <lock.h>}#include <util/keyval/keyval.h>#include <util/group/thpuma.h>#include <util/misc/formio.h>using namespace sc;/////////////////////////////////////////////////////////////////////////////// PumaThreadLock classclass PumaThreadLock : public ThreadLock {  private:    volatile int lock_;      public:    PumaThreadLock() : lock_(0) {}    ~PumaThreadLock() {}    void lock() { set_lock(&lock_); }    void unlock() { clr_lock(&lock_); }};/////////////////////////////////////////////////////////////////////////////// PumaThreadGrp membersstatic ClassDesc PumaThreadGrp_cd(  typeid(PumaThreadGrp),"PumaThreadGrp",1,"public ThreadGrp",  0, create<PumaThreadGrp>, 0);PumaThreadGrp::PumaThreadGrp()  : ThreadGrp(){}PumaThreadGrp::PumaThreadGrp(const Ref<KeyVal>& keyval)  : ThreadGrp(keyval){  if (nthread_ > 2) {    delete[] threads_;    nthread_ = 2;    threads_ = new Thread*[nthread_];  }}PumaThreadGrp::~PumaThreadGrp(){}static voidrun_Thread_run(void *thread){  Thread::run_Thread_run(thread);}intPumaThreadGrp::start_threads(){  flag_=0;  if (nthread_ > 1 && threads_[1])    cop(run_Thread_run, &flag_, (void*)threads_[1]);  if (threads_[0]) threads_[0]->run();    return 0;}intPumaThreadGrp::wait_threads(){  if (nthread_ > 1)    while (!flag_);      return 0;}Ref<ThreadLock>PumaThreadGrp::new_lock(){  return new PumaThreadLock;}/////////////////////////////////////////////////////////////////////////////// Local Variables:// mode: c++// c-file-style: "ETS"// End:

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