1Makefile
2addqdep.f90
3allocatecoulomb.f90
4allocatediag.fortran90
5allocatenebarrays.f90
6allocatenono.fortran90
7allocatepure.fortran90
8allocatesubgraph.f90
9allocatexbo.f90
10am.f90
11assessocc.fortran90
12atomcharge.f90
13avepress.f90
14avetemp.f90
15bldnewH.f90
16bldnewHS.f90
17bldnewHS_sp.f90
18bldspinH.f90
19bm.f90
20bodirect.fortran90
21caselist.f90
22conjgradient.f90
23constants_mod.f90
24coulomb_ewald.f90
25coulomb_oldskool.f90
26coulomb_rspace.f90
27coulombarray.f90
28coultailcoef.f90
29dbcsr_var_mod.f90
30deallocateall.f90
31deallocatecoulomb.f90
32deallocatediag.fortran90
33deallocatenebarrays.f90
34deallocatenono.fortran90
35deallocatepure.fortran90
36deallocatesubgraph.f90
37deallocatexbo.f90
38deorthomyrho.fortran90
39dfda.f90
40dfdb.f90
41dfdr.f90
42dgspdr.f90
43diagarray.f90
44diagmyh.fortran90
45dosfit.f90
46dosfit.f90.orig
47dslmmpda.f90
48dslmmpdb.f90
49dtlmmpda.f90
50dtlmmpdb.f90
51dunivscaling.f90
52dunivscaling_function.f90
53dwignerddb.f90
54entropy.fortran90
55factorial.f90
56fcoulnono.f90
57fermiallocate.f90
58fermicommon.f90
59fermideallocate.f90
60fermiexpans.fortran90
61filelist.dat
62fspinnono.f90
63gaussrn.f90
64genX.fortran90
65gershgorin.f90
66getbndfil.f90
67getcoule.f90
68getdeltaq.f90
69getdeltaspin.f90
70getdensity.f90
71gethdim.f90
72getke.f90
73getmatindlist.f90
74getmaxf.f90
75getmdf.f90
76getpressure.f90
77getrho.f90
78getspinE.f90
79getspinE_zero.f90
80gradH.f90
81gradH_sp.f90
82homolumo.f90
83ifrestart.f90
84init_dbcsr.f90
85initcoulomb.f90
86initialv.f90
87initrng.fortran90
88initshockcomp.f90
89kbldnewh.f90
90kbldnewh.f90.fast
91kbldnewh.f90.slow
92kbodirect.fortran90
93kbodirect.fortran90.f90
94kdiagmyh.fortran90
95kgetdos.f90
96kgetrho.f90
97kgradH.f90
98kspacearray.f90
99latte.fortran90
100matrixio.f90
101mdarray.f90
102mofit.f90
103msrelax.f90
104myprecision.fortran90
105neblist_cell.f90
106neblistarray.f90
107neblists.f90
108newkbldnewh.f90
109nnz.f90
110noelec.f90
111nonoarray.f90
112norms.f90
113nptrescale.f90
114nvtNH.f90
115nvtandersen.f90
116nvtandersen.f90.em
117nvtlangevin.f90
118nvtrescale.f90
119orthomyH.fortran90
120orthomyrho.fortran90
121pairpot.f90
122panic.f90
123parafileopen.fortran90
124parawrite.fortran90
125pbc.fortran90
126plot_ppot.f90
127plot_univ.f90
128ppotarray.f90
129printsparse.f90
130propchempot_xbo.f90
131propspins_xbo.f90
132pulay.fortran90
133purearray.f90
134qconsistency.f90
135qneutral.f90
136readcontrols.f90
137readcr.f90
138readmdcontroller.f90
139readppot.f90
140readrestart.fortran90
141readtb.f90
142relaxcommon.f90
143resetprodhd.f90
144restartarray.f90
145rhozero.f90
146setuparray.f90
147shiftH.f90
148shockcomp.f90
149shutdown_dbcsr.f90
150slmmp.f90
151solvematcg.fortran90
152solvematcg_sparse.fortran90
153solvematlapack.fortran90
154sp2T.fortran90
155sp2dbcsr.f90
156sp2fermi.fortran90
157sp2fermi_init.fortran90
158sp2gap.fortran90
159sp2gap_setup.fortran90
160sp2pure.fortran90
161sp2pure_sparse.fortran90
162sp2pure_sparse_parallel.f90
163sp2pure_sparse_parallel_simple.f90
164sp2pure_subgraph_parallel.f90
165sparsearray.f90
166sparsemath.f90
167sparsemath.ps
168sparsesp2.f90
169spinarray.f90
170spinrhodirect.f90
171stdescent.f90
172subgraph.f90
173subgraphsp2.f90
174summary.f90
175tbmd.f90
176tbmd.f90.em
177timer_mod.f90
178tlmmp.f90
179toteng.f90
180toteng.f90.new
181univarray.f90
182univscaling.f90
183univscaling_function.f90
184univtailcoef.f90
185vdwtailcoef.f90
186velverlet.f90
187virialarray.f90
188wignerd.f90
189wrtcfgs.fortran90
190wrtrestart.fortran90
191wrtrestart.fortran90.f90
192xbo.f90
193xboarray.f90
194