GString Member List

This is the complete list of members for GString, including all inherited members.

active	GString	[private]
add	GString	[private]
add_angles(int nadd, int *newangles)	GString	[private]
add_bonds(int nadd, int *newbonds)	GString	[private]
add_last_node(int type)	GString	[private]
add_linear()	GString	[private]
ADD_NODE_TOL	GString	[private]
addCNode(int n1)	GString	[private]
addNode(int n1, int n2, int n3)	GString	[private]
align_rxn()	GString	[private]
align_string(ICoord ic1, ICoord ic2)	GString	[private]
allcoords	GString
allelse_init()	GString	[private]
amasses	GString	[private]
anames	GString	[private]
angles	GString	[private]
anglet	GString	[private]
anumbers	GString	[private]
bond	GString	[private]
bondfrags	GString	[private]
bondsic	GString	[private]
break_planes_ssm(ICoord ic1)	GString	[private]
brk	GString	[private]
build_fstring(double **fstring)	GString
CHARGE	GString	[private]
check_close_dist(int n, double *dist, int *newbonds)	GString	[private]
check_for_reaction(int &wts, int &wint)	GString	[private]
check_for_reaction_g(int type)	GString	[private]
climb	GString	[private]
close_dist_fix(int type)	GString	[private]
com_rotate_move(int iR, int iP, int iN, double ff)	GString	[private]
CONV_TOL	GString	[private]
coords	GString	[private]
cTSnode	GString	[private]
DQMAG_SSM_MAX	GString	[private]
DQMAG_SSM_MIN	GString	[private]
endearly	GString	[private]
find	GString	[private]
find_ints()	GString	[private]
find_peaks(int type)	GString	[private]
find_uphill(double cutoff)	GString	[private]
general_init(string infilename)	GString	[private]
get_distances(double *dqmaga, double **ictan)	GString	[private]
get_distances_dm(double *dqmaga, double **ictan)	GString	[private]
get_eigenv_bofill()	GString	[private]
get_eigenv_finite(int enode)	GString	[private]
get_eigenv_finite(int enode, double **ictan)	GString	[private]
get_ssm_dqmag(double bdist)	GString	[private]
get_tangents(double **dqa, double *dqmaga, double **ictan)	GString	[private]
get_tangents_1(double **dqa, double *dqmaga, double **ictan)	GString	[private]
get_tangents_1e(double **dqa, double *dqmaga, double **ictan)	GString	[private]
get_tangents_1g(double **dqa, double *dqmaga, double **ictan)	GString	[private]
get_tangents_dm(double **dqa, double *dqmaga, double **ictan)	GString	[private]
grad1	GString	[private]
gradFailCount	GString	[private]
gradJobCount	GString	[private]
grads	GString	[private]
GROWD	GString	[private]
growing	GString	[private]
growth_iters(int max_iter, double &totalgrad, double &gradrms, double endenergy, string strfileg, int &tscontinue, double gaddmax, int osteps, int oesteps, double **dqa, double *dqmaga, double **ictan)	GString	[private]
HESS_INIT	GString	[private]
hessSSM	GString	[private]
ic_reparam(double **dqa, double *dqmaga, int type)	GString	[private]
ic_reparam_cut(int min, double **dqa, double *dqmaga, int type)	GString	[private]
ic_reparam_dm(double **dqa, double *dqmaga, int type)	GString	[private]
ic_reparam_g(double **dqa, double *dqmaga)	GString	[private]
ic_reparam_h(double **dqa, double *dqmaga, int type)	GString	[private]
ic_reparam_new(double **dqa, double *dqmaga, int type)	GString	[private]
ic_reparam_steps	GString	[private]
icoords	GString	[private]
infile0	GString	[private]
init(string infilename, string xyzfile)	GString
init(string infilename, int runNum, int nprocs)	GString
initialOpt	GString	[private]
int2ic	GString	[private]
int2ic_dm	GString	[private]
INTERP_MODE	GString	[private]
intic	GString	[private]
intic_dm	GString	[private]
isFSM	GString	[private]
isomer_init(string isofilename)	GString	[private]
isRestart	GString	[private]
isSSM	GString	[private]
killcounter	GString	[private]
knnr_vs_opt(int n)	GString	[private]
lastdispr	GString	[private]
lastOpt	GString	[private]
MAX_OPT_ITERS	GString	[private]
min_rms_structure_distance(double *struct1, double *struct2, int natoms)	GString
n0	GString	[private]
nadd	GString	[private]
nangle	GString	[private]
natoms	GString	[private]
nbond	GString	[private]
nbrk	GString	[private]
ncpu	GString	[private]
new_bond	GString	[private]
newclimbscale	GString	[private]
newic	GString	[private]
newic_dm	GString	[private]
nfound	GString	[private]
ngrowth	GString	[private]
nn	GString	[private]
nnew_bond	GString	[private]
nnmax	GString	[private]
nnmax0	GString	[private]
nnP	GString	[private]
nnR	GString	[private]
NODE_SPACING	GString	[private]
nsplit	GString	[private]
ntors	GString	[private]
NUM_INTERP	GString	[private]
NUM_STEPS	GString	[private]
oi	GString	[private]
opt_iters(int max_iter, double &totalgrad, double &gradrms, double endenergy, string strfileg, int &tscontinue, double gaddmax, int osteps, int oesteps, double **dqa, double *dqmaga, double **ictan, int finder, int climber, int do_tp, int &tp)	GString	[private]
opt_r()	GString	[private]
opt_steps(double **dqa, double **ictan, int osteps, int oesteps)	GString	[private]
opt_tr()	GString	[private]
parameter_init(string infilename)	GString	[private]
past_ts()	GString	[private]
PEAK4_EDIFF	GString	[private]
perp_grads	GString	[private]
print_em(int nmaxp)	GString	[private]
print_string(int STEPS, double **allcoords, string xyzstring)	GString
print_string_clump(int STEPS, double grad, double **allcoords, string xyzstring)	GString
print_string_clump_p(int STEPS, double grad, double **allcoords, string xyzstring)	GString	[private]
prodelim	GString	[private]
ptsn	GString	[private]
pTSnode	GString	[private]
pTSnodecoords	GString	[private]
QDISTMAX	GString	[private]
read_string(string stringfile, double **coordsn, double *energies)	GString	[private]
reparam_and_getTangents_with_LST(double **fstring)	GString
restart_string(string pstring)	GString	[private]
rotate_structure(double *xyz0, int *a)	GString	[private]
runend	GString	[private]
runends	GString	[private]
runNum	GString	[private]
SCALING	GString	[private]
scan_r(int eigen)	GString	[private]
set_fsm_active(int nnR, int nnP)	GString	[private]
set_prima(string pstring)	GString	[private]
set_ssm_bonds(ICoord &ic1)	GString	[private]
shift_node(int nnOld, int nnNew)	GString
SPIN	GString	[private]
starting_string(double *dq, int nnodes)	GString	[private]
starting_string_dm(double *dq)	GString	[private]
STEP_OPT_ITERS	GString	[private]
String_Method_Optimization()	GString
stringfilename	GString	[private]
structure_init(string xyzfile)	GString	[private]
tangent_1(double *ictan)	GString	[private]
tangent_1b(double *ictan)	GString	[private]
tangents	GString	[private]
tors	GString	[private]
tort	GString	[private]
trim_string()	GString	[private]
trim_string(int nextmin)	GString	[private]
TSnode0	GString	[private]
tstype	GString	[private]
twin_peaks()	GString	[private]
use_exact_climb	GString	[private]
using_break_planes	GString	[private]
V0	GString	[private]
V_profile	GString	[private]
write_geom_file(int iter)	GString
write_string_file(int iter)	GString
write_SVfile(int iter)	GString
xdist	GString	[private]