NAMD
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#include <unistd.h>
#include <stdio.h>
#include <climits>
#include <vector>
#include <cstdint>
#include "converse.h"
Go to the source code of this file.
Classes | |
struct | dcd_params |
struct | per_atom_flags |
Macros | |
#define | SEQUENCER_SOA |
#define | NAMD_FILENAME_BUFFER_SIZE 4096 |
#define | COULOMB 332.0636 |
#define | BOLTZMANN 0.001987191 |
#define | TIMEFACTOR 48.88821 |
#define | PRESSUREFACTOR 6.95E4 |
#define | PDBVELFACTOR 20.45482706 |
#define | PDBVELINVFACTOR (1.0/PDBVELFACTOR) |
#define | PNPERKCALMOL 69.479 |
#define | RECIP_TIMEFACTOR (1.0 / TIMEFACTOR) |
#define | namdnearbyint(x) floor((x)+0.5) |
#define | PI 3.141592653589793 |
#define | TWOPI 2.0 * PI |
#define | ONE 1.000000000000000 |
#define | ZERO 0.000000000000000 |
#define | SMALLRAD 0.0005 |
#define | SMALLRAD2 SMALLRAD*SMALLRAD |
#define | FALSE 0 |
#define | TRUE 1 |
#define | NO 0 |
#define | YES 1 |
#define | STRINGNULL '\0' |
#define | MAX_NEIGHBORS 27 |
#define | SIMPARAMSTAG 100 |
#define | STATICPARAMSTAG 101 |
#define | MOLECULETAG 102 |
#define | FULLTAG 104 |
#define | FULLFORCETAG 105 |
#define | DPMTATAG 106 |
#define | GRIDFORCEGRIDTAG 107 |
#define | COMPUTEMAPTAG 108 |
#define | CYCLE_BARRIER 0 |
#define | PME_BARRIER 0 |
#define | STEP_BARRIER 0 |
#define | USE_BARRIER (CYCLE_BARRIER || PME_BARRIER || STEP_BARRIER) |
#define | NAMD_SeparateWaters 0 |
DMK - Atom Separation (water vs. non-water) More... | |
#define | NAMD_ComputeNonbonded_SortAtoms 1 |
#define | NAMD_ComputeNonbonded_SortAtoms_LessBranches 1 |
#define | NAMD_HOST_DEVICE inline |
Typedefs | |
typedef int8_t | int8 |
typedef int16_t | int16 |
typedef int32_t | int32 |
typedef int64_t | int64 |
typedef uint8_t | uint8 |
typedef uint16_t | uint16 |
typedef uint32_t | uint32 |
typedef uint64_t | uint64 |
typedef float | Real |
typedef double | BigReal |
typedef int | Bool |
typedef struct dcd_params | DCDParams |
typedef struct per_atom_flags | PerAtomFlags |
Enumerations | |
enum | NAMD_ReleaseType { NAMD_UNKNOWN_RELEASE = 0, NAMD_ALPHA_RELEASE = 1, NAMD_BETA_RELEASE = 2, NAMD_FINAL_RELEASE = 3 } |
enum | WaterModel { WaterModel::TIP3, WaterModel::TIP4, WaterModel::SWM4 } |
enum | OUTPUTFILETYPE { dcdType, forcedcdType, veldcdType, coorType, forceType, velType } |
Functions | |
void | NAMD_version (int *major, int *minor, int *patchLevel, int *releaseType) |
const char * | NAMD_version_string (void) |
void | NAMD_quit (const char *) |
void | NAMD_die (const char *) |
void | NAMD_err (const char *) |
void | NAMD_bug (const char *) |
int | NAMD_file_exists (const char *filename) |
void | NAMD_backup_file (const char *filename, const char *extension=0) |
int | NAMD_open_text (const char *fname, int append=0) |
void | NAMD_write (int fd, const char *buf, size_t count, const char *fname="in NAMD_write()") |
void | NAMD_close (int fd, const char *fname) |
char * | NAMD_stringdup (const char *) |
FILE * | Fopen (const char *filename, const char *mode) |
int | Fclose (FILE *fout) |
int | NAMD_gcd (int a, int b) |
constexpr int | getWaterModelGroupSize (const WaterModel &watmodel) |
#define BOLTZMANN 0.001987191 |
Definition at line 54 of file common.h.
Referenced by Controller::adaptTempUpdate(), Controller::Controller(), HomePatch::hardWallDrude(), Controller::langevinPiston1(), Controller::langevinPiston2(), Sequencer::langevinVelocities(), Sequencer::langevinVelocitiesBBK2(), Controller::monteCarloPressure_accept(), Controller::multigatorCalcEnthalpy(), Controller::multigratorPressure(), Controller::multigratorTemperature(), Controller::outputFepEnergy(), Sequencer::reassignVelocities(), Controller::receivePressure(), Sequencer::reinitVelocities(), Controller::stochRescaleCoefficient(), and Controller::writeFepEnergyData().
#define COMPUTEMAPTAG 108 |
Definition at line 184 of file common.h.
Referenced by WorkDistrib::recvComputeMapChanges(), and WorkDistrib::sendComputeMap().
#define COULOMB 332.0636 |
Definition at line 53 of file common.h.
Referenced by ComputeNonbondedUtil::calcGBIS(), ExclElem::computeForce(), ComputeMsm::ComputeMsm(), ComputePme::doWork(), ComputeEwald::doWork(), HomePatch::gbisComputeAfterP2(), HomePatch::positionsReady(), HomePatch::positionsReady_SOA(), ComputeMsmSerialMgr::recvCoord(), ComputeFmmSerialMgr::recvCoord(), and ComputeQMMgr::recvPntChrg().
#define FALSE 0 |
Definition at line 127 of file common.h.
Referenced by Molecule::atoms_1to4(), ParseOptions::check_consistency(), GridforceFullMainGrid::compute_b(), ComputeCylindricalBC::ComputeCylindricalBC(), ComputeSphericalBC::ComputeSphericalBC(), ConfigList::ConfigList(), WorkDistrib::createAtomLists(), ParseOptions::DataElement::DataElement(), ParseOptions::defined(), Parameters::done_reading_files(), PDBData::field(), ParseOptions::get(), Parameters::get_table_pair_params(), Parameters::get_vdw_pair_params(), Molecule::go_restricted(), GridforceFullBaseGrid::GridforceFullBaseGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), Molecule::is_atom_constorqued(), Molecule::is_atom_constrained(), Molecule::is_atom_dcd_selection(), Molecule::is_atom_gridforced(), Molecule::is_atom_movdragged(), Molecule::is_atom_rotdragged(), Molecule::is_atom_stirred(), MGridforceParams::MGridforceParams(), Parameters::Parameters(), Molecule::read_go_file(), ParseOptions::set(), Vector::set(), and ParseOptions::units().
#define FULLFORCETAG 105 |
Definition at line 181 of file common.h.
Referenced by ComputeFullDirect::doWork().
#define FULLTAG 104 |
Definition at line 180 of file common.h.
Referenced by ComputeFullDirect::doWork().
#define GRIDFORCEGRIDTAG 107 |
Definition at line 183 of file common.h.
Referenced by Node::reloadGridforceGrid().
#define MOLECULETAG 102 |
Definition at line 179 of file common.h.
Referenced by Node::resendMolecule().
#define NAMD_FILENAME_BUFFER_SIZE 4096 |
Definition at line 45 of file common.h.
Referenced by Molecule::build_go_arrays(), Molecule::build_go_sigmas(), Molecule::build_go_sigmas2(), Molecule::build_gridforce_params(), and Controller::outputExtendedSystem().
#define NAMD_SeparateWaters 0 |
DMK - Atom Separation (water vs. non-water)
Setting this define to a non-zero value will cause the HomePatches to separate the hydrogen groups in their HomePatch::atom lists (all water molecules first, in arbitrary order, followed by all non-waters, in arbitrary order).
Note from DH: This macro appears to be broken. After fixing basic compilation issues (undefined reference to simParams), enabling it causes an infinite loop when trying to run STMV.
#define namdnearbyint | ( | x | ) | floor((x)+0.5) |
Definition at line 85 of file common.h.
Referenced by Lattice::delta(), Lattice::delta_from_diff(), Lattice::nearest(), Parameters::read_ener_table(), Parameters::read_energy_type(), Parameters::read_energy_type_bothcubspline(), Parameters::read_energy_type_cubspline(), Lattice::wrap_delta(), Lattice::wrap_delta_scaled(), Lattice::wrap_delta_scaled_fast(), and Lattice::wrap_nearest_delta().
#define PDBVELFACTOR 20.45482706 |
Definition at line 57 of file common.h.
Referenced by ParallelIOMgr::bcastMolInfo(), Sequencer::maximumMove(), and Sequencer::maximumMove_SOA().
#define PDBVELINVFACTOR (1.0/PDBVELFACTOR) |
#define PI 3.141592653589793 |
Definition at line 92 of file common.h.
Referenced by calcOverlap(), ImproperElem::computeForce(), CrosstermElem::computeForce(), DihedralElem::computeForce(), crossterm_setup(), ComputeEField::doForce(), ComputeLCPO::doForce(), GromacsTopFile::GromacsTopFile(), proc_getangle(), proc_getdihedral(), and vec_rotation_matrix().
#define PRESSUREFACTOR 6.95E4 |
Definition at line 56 of file common.h.
Referenced by PressureProfileReduction::getData(), Controller::printEnergies(), Controller::receivePressure(), Controller::rescaleaccelMD(), and SimParameters::scriptSet().
#define RECIP_TIMEFACTOR (1.0 / TIMEFACTOR) |
Definition at line 61 of file common.h.
Referenced by Sequencer::integrate_SOA().
#define SEQUENCER_SOA |
#define STATICPARAMSTAG 101 |
Definition at line 178 of file common.h.
Referenced by Node::resendMolecule().
#define STRINGNULL '\0' |
Definition at line 137 of file common.h.
Referenced by ParseOptions::get(), NAMD_find_first_word(), NAMD_pad(), NAMD_read_int(), NAMD_read_line(), NAMD_remove_comment(), and NAMD_truncate().
#define TIMEFACTOR 48.88821 |
Definition at line 55 of file common.h.
Referenced by Sequencer::addForceToMomentum(), Sequencer::addForceToMomentum3(), Sequencer::addMovDragToPosition(), Sequencer::addRotDragToPosition(), Sequencer::addVelocityToPosition(), Sequencer::correctMomentum(), HomePatch::hardWallDrude(), Sequencer::langevinVelocitiesBBK1_SOA(), Sequencer::langevinVelocitiesBBK2_SOA(), Sequencer::maximumMove(), Sequencer::minimize(), HomePatch::minimize_rattle2(), Sequencer::newMinimizeDirection(), HomePatch::rattle1(), HomePatch::rattle1old(), HomePatch::rattle2(), ComputeQMMgr::recvPartQM(), and Sequencer::submitMinimizeReductions().
#define TRUE 1 |
Definition at line 128 of file common.h.
Referenced by Molecule::atoms_1to4(), ParseOptions::check_consistency(), GridforceFullMainGrid::compute_b(), ComputeCylindricalBC::ComputeCylindricalBC(), ComputeSphericalBC::ComputeSphericalBC(), ConfigList::ConfigList(), WorkDistrib::createAtomLists(), ParseOptions::defined(), Parameters::done_reading_files(), PDBData::field(), ParseOptions::get(), Parameters::get_table_pair_params(), Parameters::get_vdw_pair_params(), Molecule::go_restricted(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), MGridforceParams::MGridforceParams(), ParseOptions::ParseOptions(), Parameters::read_charmm_parameter_file(), Molecule::read_go_file(), Parameters::read_parameter_file(), Parameters::receive_Parameters(), ParseOptions::set(), Vector::set(), and ParseOptions::units().
#define TWOPI 2.0 * PI |
Definition at line 96 of file common.h.
Referenced by DihedralElem::computeForce(), ImproperElem::computeForce(), and ComputeEField::doForce().
#define USE_BARRIER (CYCLE_BARRIER || PME_BARRIER || STEP_BARRIER) |
#define ZERO 0.000000000000000 |
Definition at line 104 of file common.h.
Referenced by ComputeNonbondedUtil::calcGBIS().
typedef struct dcd_params DCDParams |
typedef struct per_atom_flags PerAtomFlags |
enum NAMD_ReleaseType |
Enumerator | |
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NAMD_UNKNOWN_RELEASE | |
NAMD_ALPHA_RELEASE | |
NAMD_BETA_RELEASE | |
NAMD_FINAL_RELEASE |
enum OUTPUTFILETYPE |
Enumerator | |
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dcdType | |
forcedcdType | |
veldcdType | |
coorType | |
forceType | |
velType |
Definition at line 247 of file common.h.
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strong |
int Fclose | ( | FILE * | fout | ) |
Definition at line 435 of file common.C.
Referenced by ConfigList::ConfigList(), Ambertoppar::genclose(), PDB::PDB(), read_binary_file(), and Parameters::read_parameter_file().
FILE* Fopen | ( | const char * | filename, |
const char * | mode | ||
) |
Definition at line 341 of file common.C.
Referenced by ConfigList::ConfigList(), Ambertoppar::genopen(), GridforceFullMainGrid::initialize(), PDB::PDB(), read_binary_file(), and Parameters::read_parameter_file().
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inline |
Definition at line 228 of file common.h.
References SWM4, TIP3, and TIP4.
Referenced by HomePatch::buildRattleList(), HomePatch::buildRattleList_SOA(), WorkDistrib::createAtomLists(), HomePatch::minimize_rattle2(), HomePatch::rattle1old(), and HomePatch::rattle2().
void NAMD_backup_file | ( | const char * | filename, |
const char * | extension = 0 |
||
) |
Definition at line 235 of file common.C.
References endi(), iERROR(), iout, and NAMD_file_exists().
Referenced by Controller::adaptTempInit(), colvarproxy_namd::backup_file(), ofstream_namd::open(), open_dcd_write(), Controller::outputExtendedSystem(), Controller::outputFepEnergy(), Controller::outputTiEnergy(), CollectionMaster::receiveDataStream(), and Controller::write_accelMDG_rest_file().
void NAMD_bug | ( | const char * | ) |
Definition at line 195 of file common.C.
References Node::Object().
Referenced by Sequencer::algorithm(), Controller::algorithm(), CollectProxyVectorInstance::append(), CudaComputeNonbonded::assignPatches(), CudaComputeNonbonded::assignPatchesOnPe(), PmePencilXYZ::backwardDone(), LdbCoordinator::barrier(), HomePatch::buildSpanningTree(), ReductionMgr::buildSpanTree(), ComputeNonbondedUtil::calc_error(), Controller::calcPressure(), ComputePmeMgr::chargeGridReady(), checkSum(), ofstream_namd::close(), Box< Patch, CompAtom >::close(), Controller::compareChecksums(), ComputeCUDAMgr::ComputeCUDAMgr(), ComputePmeCUDAMgr::ComputePmeCUDAMgr(), ComputeTclBC::ComputeTclBC(), CudaPmeTranspose::copyDataDeviceToDevice(), CudaPmeTranspose::copyDataDeviceToHost(), CudaPmeTranspose::copyDataHostToDevice(), WorkDistrib::createAtomLists(), ComputeCUDAMgr::createCudaComputeNonbonded(), ComputePmeCUDAMgr::createDevicesAndAtomFiler(), CsmAckHandler(), CsmHandler(), cudaNAMD_bug(), CudaPmeRealSpaceCompute::CudaPmeRealSpaceCompute(), MigrateAtomsCombinedMsg::distribute(), ComputeGridForce::doForce(), HomePatch::doGroupSizeCheck(), HomePatch::doGroupSizeCheck_SOA(), ComputePme::doWork(), CudaComputeNonbonded::doWork(), WorkDistrib::enqueueAngles(), WorkDistrib::enqueueAniso(), WorkDistrib::enqueueBonds(), WorkDistrib::enqueueCrossterms(), WorkDistrib::enqueueDihedrals(), WorkDistrib::enqueueExcls(), WorkDistrib::enqueueGromacsPair(), WorkDistrib::enqueueImpropers(), WorkDistrib::enqueueLCPO(), WorkDistrib::enqueuePme(), WorkDistrib::enqueueSelfA1(), WorkDistrib::enqueueSelfA2(), WorkDistrib::enqueueSelfA3(), WorkDistrib::enqueueSelfB1(), WorkDistrib::enqueueSelfB2(), WorkDistrib::enqueueSelfB3(), WorkDistrib::enqueueThole(), WorkDistrib::enqueueWork(), WorkDistrib::enqueueWorkA1(), WorkDistrib::enqueueWorkA2(), WorkDistrib::enqueueWorkA3(), WorkDistrib::enqueueWorkB1(), WorkDistrib::enqueueWorkB2(), WorkDistrib::enqueueWorkB3(), WorkDistrib::enqueueWorkC(), ScriptTcl::eval(), ComputeMap::extendPtrs(), findRecipEvirPe(), CudaComputeNonbonded::finishReductions(), ofstream_namd::flush(), PmeAtomStorage::getAtomIndex(), getBlockDim(), CudaPmeTranspose::getBuffer(), ComputeCUDAMgr::getComputeCUDAMgr(), ComputeCUDAMgr::getCudaComputeNonbonded(), ComputePmeCUDAMgr::getDevice(), ComputePmeCUDAMgr::getDevicePencilY(), ComputePmeCUDAMgr::getDevicePencilZ(), ParseOptions::getfromptr(), ComputePmeCUDAMgr::getHomePencil(), ComputeLjPmeSerialMgr::getLJparameters(), Communicate::getMessage(), ComputePmeCUDAMgr::getNode(), getPencilDim(), Controller::getTotalPotentialEnergy(), globalAtomIDToSOAID(), GridforceFullBaseGrid::grid_index(), FFTCompute::init(), ComputePmeCUDA::initialize(), ComputePatch::initialize(), ComputeHomePatch::initialize(), ComputePme::initialize(), LdbCoordinator::initialize(), ParallelIOMgr::initialize(), ComputePmeMgr::initialize(), ComputePmeMgr::initialize_computes(), IRSet::insert(), ParseOptions::issetfromptr(), ParseOptions::istruefromptr(), CudaComputeNonbonded::launchWork(), LdbCoordinator::LdbCoordinator(), ScriptTcl::load(), NamdState::loadStructure(), PatchMap::makePatches(), WorkDistrib::messageEnqueueWork(), CudaComputeNonbonded::messageEnqueueWork(), WorkDistrib::messageFinishCUDA(), WorkDistrib::messageFinishMIC(), HomePatch::minimize_rattle2(), Sequencer::multigratorPressure(), NAMD_version(), NAMD_write(), Node::Node(), PmeZPencil::node_process_untrans(), PmeYPencil::node_process_untrans(), ofstream_namd::open(), Box< Patch, CompAtom >::open(), CudaComputeNonbonded::openBoxesOnPe(), PatchMap::pack(), PatchMgr::PatchMgr(), CudaComputeNonbonded::patchReady(), PmePencilX::PmePencilX(), PmePencilXY::PmePencilXY(), PmePencilXYZ::PmePencilXYZ(), PmePencilY::PmePencilY(), PmePencilZ::PmePencilZ(), PmeTranspose::PmeTranspose(), ComputePmeMgr::pollChargeGridReady(), ComputePmeMgr::pollForcesReady(), PmePencilXYZMap::populateInitial(), PmePencilXMap::populateInitial(), PmePencilXYMap::populateInitial(), PmePencilMap::populateInitial(), Controller::printEnergies(), Rebalancer::printLoads(), PmePencilXMap::procNum(), PmePencilXYMap::procNum(), ProxyMgr::ProxyMgr(), HomePatch::rattle2(), Sequencer::reassignVelocities(), ProxyPatch::receiveAll(), ProxyPatch::receiveData(), ParallelIOMgr::receiveForces(), ParallelIOMgr::receivePositions(), ParallelIOMgr::receiveVelocities(), recursive_bisect_with_curve(), recvAck(), ComputePmeMgr::recvAck(), ComputePmeCUDADevice::recvAtoms(), ComputePmeCUDADevice::recvAtomsFromNeighbor(), recvBcast(), BroadcastMgr::recvBroadcast(), PatchMgr::recvCheckpointAck(), HomePatch::recvCheckpointLoad(), PatchMgr::recvCheckpointReq(), WorkDistrib::recvComputeMapChanges(), ComputeMgr::recvCudaGlobalMasterUpdateResultMsg(), GlobalMasterServer::recvData(), recvData(), ComputePmeCUDAMgr::recvDevices(), recvEvalCommand(), recvEvalResult(), PatchMgr::recvExchangeReq(), ComputePmeCUDADevice::recvForcesFromNeighbor(), ComputePmeMgr::recvGrid(), ComputeQMMgr::recvPartQM(), ComputePmeMgr::recvRecipEvir(), Output::recvReplicaDcdData(), ComputeGlobal::recvResults(), ProxyMgr::recvResults(), ComputePmeMgr::recvUngrid(), NodePmeMgr::recvUngrid(), ReductionSet::ReductionSet(), AtomMapper::registerIDsCompAtomExt(), AtomMapper::registerIDsFullAtom(), registerUserEventsForAllComputeObjs(), Node::reloadGridforceGrid(), ReductionMgr::remoteSubmit(), IRSet::remove(), replica_bcast(), replica_min_double(), CollectProxyVectorInstance::reset(), CollectionMgr::CollectVectorInstance::reset(), CollectionMaster::CollectVectorInstance::reset(), ComputeGlobal::saveTotalForces(), Sequencer::scalePositionsVelocities(), ComputeNonbondedUtil::select(), PmeZPencil::send_ungrid(), PatchMgr::sendAtoms(), NodePmeMgr::sendDataHelper(), ComputePmeMgr::sendDataPart(), Communicate::sendMessage(), PatchMgr::sendMovePatches(), PatchMgr::sendOneHomePatch(), NodePmeMgr::sendPencilsHelper(), ComputePmeMgr::sendPencilsPart(), CudaPmeTranspose::setDataPtrsYZX(), CudaPmeTranspose::setDataPtrsZXY(), ComputePmeCUDADevice::setPencilProxy(), ComputePmeCUDAMgr::setupPencils(), SimpleBroadcastObject< Tensor >::SimpleBroadcastObject(), Box< Patch, CompAtom >::skip(), CudaComputeNonbonded::skipPatchesOnPe(), CudaPmeKSpaceCompute::solve(), Node::startup(), ComputeMap::storeCompute(), ComputePmeCUDA::storePmeForceMsg(), PmePencilXYZ::submitReductions(), PmePencilZ::submitReductions(), ComputePmeMgr::submitReductions(), Sync::Sync(), TopoManagerWrapper::TopoManagerWrapper(), CudaPmeTranspose::transposeXYZtoYZX(), CudaPmeTranspose::transposeXYZtoZXY(), IRSet::unchecked_insert(), ComputePme::ungridForces(), ComputeMap::unpack(), GridforceGrid::unpack_grid(), CudaComputeNonbonded::unregisterBoxesOnPe(), AtomMapper::unregisterIDsCompAtomExt(), AtomMapper::unregisterIDsFullAtom(), ComputeCUDAMgr::update(), ComputeMgr::updateComputes(), Node::updateGridScale(), WorkDistrib::WorkDistrib(), AtomMapper::~AtomMapper(), and Rebalancer::~Rebalancer().
void NAMD_close | ( | int | fd, |
const char * | fname | ||
) |
void NAMD_err | ( | const char * | ) |
Definition at line 170 of file common.C.
References Node::Object().
Referenced by after_backend_init(), ComputeQMMgr::calcMOPAC(), ComputeQMMgr::calcORCA(), ComputeQMMgr::calcUSR(), close_dcd_write(), colvarproxy_namd::error(), NAMD_close(), NAMD_open(), NAMD_open_text(), NAMD_seek(), NAMD_write(), Controller::outputExtendedSystem(), PDB::PDB(), AmberParm7Reader::read_amber_parm_stage1(), ComputeQMMgr::recvPartQM(), Output::recvReplicaDcdData(), and PDB::write().
int NAMD_file_exists | ( | const char * | filename | ) |
int NAMD_gcd | ( | int | a, |
int | b | ||
) |
Definition at line 102 of file common.C.
References NAMD_gcd().
Referenced by Sequencer::integrate(), Sequencer::integrate_SOA(), and NAMD_gcd().
int NAMD_open_text | ( | const char * | fname, |
int | append = 0 |
||
) |
Definition at line 270 of file common.C.
References NAMD_err().
Referenced by ofstream_namd::open().
void NAMD_quit | ( | const char * | ) |
Definition at line 125 of file common.C.
References Node::Object().
Referenced by GlobalMasterIMD::get_vmd_forces(), and Controller::printTiming().
char* NAMD_stringdup | ( | const char * | ) |
void NAMD_version | ( | int * | major, |
int * | minor, | ||
int * | patchLevel, | ||
int * | releaseType | ||
) |
Definition at line 56 of file common.C.
References NAMD_ALPHA_RELEASE, NAMD_BETA_RELEASE, NAMD_bug(), NAMD_FINAL_RELEASE, NAMD_UNKNOWN_RELEASE, and NAMD_version_string().
const char* NAMD_version_string | ( | void | ) |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 51 of file common.C.
Referenced by NAMD_version().
void NAMD_write | ( | int | fd, |
const char * | buf, | ||
size_t | count, | ||
const char * | fname = "in NAMD_write()" |
||
) |
Definition at line 295 of file common.C.
References endi(), iout, iWARN(), NAMD_bug(), and NAMD_err().