Formatting and trying to solve unknown problems GFrotran 7

PHOTOX · Nov 11, 2024 · de550d1 · de550d1
1 parent 48e4fa4
commit de550d1
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Showing 3 changed files with 6 additions and 6 deletions.
diff --git a/src/surfacehop.F90 b/src/surfacehop.F90
@@ -176,7 +176,7 @@ subroutine sh_init(x, y, z, vx, vy, vz)
       call force_clas(dum_fx, dum_fy, dum_fz, x, y, z, dum_eclas, pot)
 
       ! open nacme_all.dat for all but baeck-an couplings
-      if (inac /= 1) call nacmefile_init() 
+      if (inac /= 1) call nacmefile_init()
 
       ! When restarting, initial SH WF was already read from the restart file
       if (irest == 0) then

diff --git a/tests/SH_BAECK-AN/mini.xyz b/tests/SH_BAECK-AN/mini.xyz
@@ -1,4 +1,4 @@
            2 
-Time step:                2520 Sim. Time [au]        6300.00
+Time step:                2520 Sim. Time [au]
 I    -0.66505977E+00    0.00000000E+00    0.00000000E+00
 Na    0.62994661E+01    0.00000000E+00    0.00000000E+00
diff --git a/tests/SH_BAECK-AN/velocities.in b/tests/SH_BAECK-AN/velocities.in
@@ -1,4 +1,4 @@
-   2
-Time step: 2520  
-I  -0.2136638718E-03  0.0000000000E+00  0.0000000000E+00
-Na  0.1179433635E-02  0.0000000000E+00  0.0000000000E+00
+           2 
+Time step:                2520 Sim. Time [au]
+I    -0.21366387E-03    0.00000000E+00    0.00000000E+00
+Na    0.11794336E-02    0.00000000E+00    0.00000000E+00