1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
|
set(sources
src/berryion.f90
src/bforceion.f90
src/cell_nose.f90
src/cg.f90
src/cg_sub.f90
src/cglib.f90
src/chargedensity.f90
src/cp_autopilot.f90
src/cp_emass.f90
src/cp_interfaces.f90
src/cp_restart_new.f90
src/cplib.f90
src/cpr_mod.f90
src/cpr.f90
src/dealloc.f90
src/dforceb.f90
src/efermi.f90
src/efield.f90
src/eigs0.f90
src/electrons.f90
src/electrons_nose.f90
src/energies.f90
src/ensemble_dft.f90
src/exch_corr.f90
src/exx_cg.f90
src/exx_es.f90
src/exx_gs.f90
src/exx_module.f90
src/exx_pair.f90
src/exx_psi.f90
src/exx_vofr.f90
src/forces.f90
src/fromscra.f90
src/gram.f90
src/gtable.f90
src/init.f90
src/init_run.f90
src/inner_loop_cold.f90
src/input.f90
src/ions_nose.f90
src/ions_positions.f90
src/ksstates.f90
src/ldaU_cp.f90
src/ldaU.f90
src/ldaUpen.f90
src/mainvar.f90
src/cpr_loop.f90
src/cplib_meta.f90
src/metaxc.f90
src/modules.f90
src/move_electrons.f90
src/newd.f90
src/nl_base.f90
src/nlcc.f90
src/ortho_base.f90
src/ortho.f90
src/phasefactor.f90
src/plugin_add_potential.f90
src/plugin_clean.f90
src/plugin_clock.f90
src/plugin_energy.f90
src/plugin_ext_forces.f90
src/plugin_get_potential.f90
src/plugin_init_base.f90
src/plugin_init_cell.f90
src/plugin_initialization.f90
src/plugin_init_ions.f90
src/plugin_int_forces.f90
src/plugin_print_energies.f90
src/plugin_print_info.f90
src/plugin_read_input.f90
src/plugin_utilities.f90
src/potentials.f90
src/pres_ai_mod.f90
src/print_out.f90
src/printout_base.f90
src/problem_size.f90
src/pseudo_base.f90
src/pseudopot.f90
src/pseudopot_sub.f90
src/qmatrixd.f90
src/qqberry.f90
src/restart.f90
src/restart_sub.f90
src/runcp.f90
src/sic.f90
src/smallbox.f90
src/smallbox_grid.f90
src/smallbox_gvec.f90
src/smallbox_subs.f90
src/smallbox_lib.f90
src/spline.f90
src/spinsq.f90
src/stop_run.f90
src/stress.f90
src/vol_clu.f90
src/vofrho.f90
src/wannier_base.f90
src/wannier.f90
src/wave.f90
src/wave_types.f90
src/wf.f90
src/makov_payne.f90
src/entropy.f90)
qe_add_library(qe_cpv ${sources})
add_library(QE::CPV ALIAS qe_cpv)
target_link_libraries(qe_cpv
PRIVATE
QE::LAX
QE::UTILX
QE::Modules
QE::FOX
QE::FFTX
QE::UPF
QE::OpenMP_Fortran
QE::MPI_Fortran)
###########################################################
# cp.x
###########################################################
set(sources src/cprstart.f90)
qe_add_executable(qe_cpv_exe ${sources})
set_target_properties(qe_cpv_exe PROPERTIES OUTPUT_NAME cp.x)
target_link_libraries(qe_cpv_exe
PRIVATE
QE::Modules
QE::LAX
QE::CPV
QE::UTILX)
###########################################################
# manycp.x
###########################################################
set(sources src/manycp.f90)
qe_add_executable(qe_cpv_manycp_exe ${sources})
set_target_properties(qe_cpv_manycp_exe PROPERTIES OUTPUT_NAME manycp.x)
target_link_libraries(qe_cpv_manycp_exe
PRIVATE
QE::LAX
QE::Modules
QE::UTILX
QE::CPV)
###########################################################
# cppp.x
###########################################################
set(sources src/cppp.f90)
qe_add_executable(qe_cpv_cppp_exe ${sources})
set_target_properties(qe_cpv_cppp_exe PROPERTIES OUTPUT_NAME cppp.x)
target_link_libraries(qe_cpv_cppp_exe
PRIVATE
QE::Modules
QE::CPV
QE::CLIB
QE::UTILX)
###########################################################
# wfdd.x
###########################################################
set(sources src/wfdd.f90)
qe_add_executable(qe_cpv_wfdd_exe ${sources})
set_target_properties(qe_cpv_wfdd_exe PROPERTIES OUTPUT_NAME wfdd.x)
target_link_libraries(qe_cpv_wfdd_exe
PRIVATE
QE::LAPACK
QE::Modules
QE::CPV)
###########################################################
qe_install_targets(
# Libraries
qe_cpv
# Exacutables
qe_cpv_exe
qe_cpv_manycp_exe
qe_cpv_cppp_exe
qe_cpv_wfdd_exe)
|
