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Adjust tolerances

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This commit is contained in:
Matthias Krack 2024-07-17 16:57:53 +02:00
parent 55a83f1f3a
commit e6f36e8110
2 changed files with 2 additions and 2 deletions
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2
tests/Fist/regtest-1-4/TEST_FILES
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@ -29,5 +29,5 @@ water_charge_array_pme.inp 2 5e-12 -0.00
argon_atprop.inp 2 1.0E-14 -0.211229963864E+00
water_atprop_spme.inp 2 1.0E-14 0.374760458659E-02
water_atprop_pme.inp 2 5e-12 0.375555760821E-02
water_atprop_ewald.inp 2 1.0E-14 0.375664704477E-02
water_atprop_ewald.inp 2 3.0E-12 0.375664704477E-02
#EOF

2
tests/Fist/regtest-3/TEST_FILES
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@ -23,7 +23,7 @@ NaCl-H2O.inp 2 1.0E-14 -
water_2_TS.inp 25 1.0E-14 -0.0007023080
water_2_TS_CG.inp 25 1.0E-14 -0.0034700359
argon.inp 25 1.0E-14 -0.0001787063
2d_pot.inp 25 5e-03 -0.3582893449
2d_pot.inp 25 6e-03 -0.3582893449
#amber files
ace_ala_nme.inp 7 1.0E-14 -0.1185300854
ace_ala_nme-ambconn.inp 7 1.0E-14 -0.1185300850