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
|
diff --git a/meson.build b/meson.build
index ea1685c..2f0479b 100644
--- a/meson.build
+++ b/meson.build
@@ -6,7 +6,7 @@ project('dftd4', 'fortran',
conf = configuration_data()
conf.set('version', meson.project_version())
-conf.set('commit', run_command(find_program('git'),'show','-s','--format=%h').stdout().strip())
+conf.set('commit', 'aur')
conf.set('date', run_command(find_program('date'),'-I').stdout().strip())
conf.set('author', run_command(find_program('whoami')).stdout().strip())
conf.set('origin', run_command(find_program('hostname')).stdout().strip())
diff --git a/tests/dftd4.f90 b/tests/dftd4.f90
index 8eca975..4ad4f64 100644
--- a/tests/dftd4.f90
+++ b/tests/dftd4.f90
@@ -391,7 +391,7 @@ subroutine test_dftd4_pbc_energies
call mol%wrap_back
call mol%calculate_distances
- call generate_wsc(mol,mol%wsc,wsc_rep)
+ call generate_wsc(mol,mol%wsc)
call dispm%new(mol%at,refqmode,g_a,g_c)
ndim = sum(dispm%atoms*dispm%nref)
call assert_eq(ndim,26)
@@ -529,7 +529,7 @@ subroutine test_dftd4_cell_gradient
call mol%wrap_back
call mol%calculate_distances
- call generate_wsc(mol,mol%wsc,wsc_rep)
+ call generate_wsc(mol,mol%wsc)
call dispm%new(mol%at,refqmode,g_a,g_c)
ndim = sum(dispm%atoms*dispm%nref)
diff --git a/tests/eeq_model.f90 b/tests/eeq_model.f90
index cc78723..6412c23 100644
--- a/tests/eeq_model.f90
+++ b/tests/eeq_model.f90
@@ -140,7 +140,7 @@ subroutine test_eeq_model_ewald
energy = 0.0_wp
sigma = 0.0_wp
- call generate_wsc(mol,mol%wsc,wsc_rep)
+ call generate_wsc(mol,mol%wsc)
call pbc_dncoord_erf(mol,cn,dcndr,dcndL,900.0_wp)
|