11 integer,
parameter :: nc = 10
12 integer,
parameter :: np = 3
13 integer,
parameter :: nsite = 5
15 real,
parameter :: pi = 3.141592653589793
16 real,
parameter :: rgas = 8.31441
17 real,
parameter :: nav = 6.022045e23
18 real,
parameter :: kbol = rgas / nav
19 real,
parameter :: tau = pi / 3.0 / sqrt(2.0)
44 real,
dimension(np) :: dense
46 real,
dimension(np, nc) :: xi
47 real,
dimension(np, nc) :: lnx
48 real,
dimension(nc) :: xif
50 real,
dimension(nc) :: my_f
52 real,
dimension(nc) :: mm
53 real,
dimension(np, nc, nsite) :: mxx
61 real,
dimension(nc, 25) :: parame = 0.0
62 real,
dimension(nc) :: chir
63 character*30,
dimension(nc) :: compna
64 real,
dimension(nc, nc) :: kij, lij
65 real,
dimension(nc, nc) :: e_lc, s_lc
66 real,
dimension(nc) :: lli, phi_criti, chap
72 real,
dimension(np) :: densta
73 real,
dimension(0:nc*np+6) :: val_init, val_conv
75 real,
dimension(np,nc) :: rhoi_cal
76 real,
dimension(np) :: p_cal, z_cal
77 real,
dimension(np,nc) :: my_cal
78 real,
dimension(np) :: gibbs, f_res
80 real,
dimension(np) :: enthal, entrop, cpres
81 real,
dimension(np) :: speed_of_sound
83 real,
dimension(np) :: dp_dz, dp_dz2
91 character (LEN=2) :: ensemble_flag
92 character (LEN=10) :: rgt_variant
98 integer :: outp, bindiag
99 real :: u_in_t, u_out_t, u_in_p, u_out_p
107 real :: step_a, acc_a
108 real,
dimension(nc) :: scaling
109 real,
dimension(3500) :: plv_kon
110 real,
dimension(2, 3500) :: d_kond
112 character*3,
dimension(10) :: it, sum_rel
113 character*3 :: running
114 logical :: check_stability_of_phases = .false.
128 use parameters, only: nc, nsite, pi, kbol, tau, nav
129 use basic_variables, only: ncomp, eos, t, p, parame, e_lc, s_lc, chir, &
130 lli, phi_criti, chap, kij, lij, ensemble_flag
166 real :: sig_ij(nc,nc)
178 integer :: nhb_typ(nc)
179 real :: ass_d(nc,nc,nsite,nsite)
180 real :: nhb_no(nc,nsite)
181 real :: dij_ab(nc,nc)
189 character (LEN = 2) :: dd_term, qq_term, dq_term
191 real :: densav(3), denold(3)
192 real :: density_error(3)
194 real :: alpha_nematic
195 real :: alpha_test(2)
212 real,
dimension(0:6,3) :: ap, bp
214 real,
dimension(28) :: c_dd, n_dd, m_dd, k_dd, o_dd
215 real,
dimension(nc,nc,0:4) :: qqp2, qqp4, ddp2, ddp4, dqp2, dqp4
216 real,
dimension(nc,nc,nc,0:4) :: qqp3, ddp3, dqp3
233 character (LEN=9) :: ideal_gas
234 character (LEN=9) :: hard_sphere
235 character (LEN=9) :: chain_term
236 character (LEN=9) :: disp_term
237 character (LEN=9) :: hb_term
238 character (LEN=9) :: lc_term
239 character (LEN=9) :: branch_term
240 character (LEN=9) :: ii_term
241 character (LEN=9) :: id_term
243 character (LEN=9) :: subtract1
244 character (LEN=9) :: subtract2
246 character (LEN=9) :: save_eos_terms(12)
256 Module fitting_rgt_parameters
259 REAL :: tcf, pcf, rcf
260 REAL :: llfit, phifit, chapfit
262 End Module fitting_rgt_parameters
WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW This module contains constant...
WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW This module contains paramete...
WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW This module contains paramete...
WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW This module contains paramete...
WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW This module contains paramete...