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Fix No parameters
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marvinfriede committed Dec 21, 2023
1 parent bda57c9 commit ae181de
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Showing 3 changed files with 4 additions and 4 deletions.
4 changes: 2 additions & 2 deletions include/dftd_parameters.h
Original file line number Diff line number Diff line change
Expand Up @@ -5995,8 +5995,8 @@ static const int refc102[7]{
1,
1,
1,
1,
1,
3,
3,
1,
};

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2 changes: 1 addition & 1 deletion test/test_disp.h
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,7 @@ static const double rost61_m1_ref_energy{-3.4287391104745E-02};

static const double amf3_ref_energy{-2.7250500231929e-03};

static const double actinides_ref_energy{-2.752616027438038e-01};
static const double actinides_ref_energy{-2.7575296303044e-01};

extern int test_energy(
const int n,
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2 changes: 1 addition & 1 deletion test/test_disp2.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -84,7 +84,7 @@ int test_disp2() {
actinides_atoms,
actinides_coord,
actinides_charge,
-2.754490712510605e-01
-2.7594153499942E-01
);
if (!info == EXIT_SUCCESS) return info;

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