update test reference data for change in coulomb energy computation

unittest/force-styles/tests/mol-pair-coul_cut_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 17:21:22 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 1e-13
 skip_tests: single
 prerequisites: ! |
@@ -22,7 +22,7 @@ extract: ! |
   cut_coul 2
 natoms: 29
 init_vdwl: 0
-init_coul: -3.2541441161995337
+init_coul: -1.6270720580997668
 init_stress: ! |-
   -3.5713714207793740e-01 -2.8078935505683300e-01 -9.8914556096499673e-01 -7.2262043240913010e-02 -1.2264220430160128e-01  4.5748472823212968e-02
 init_forces: ! |2
@@ -56,7 +56,7 @@ init_forces: ! |2
    28  9.3967890617017130e-02 -7.7834513810279476e-02  6.4029117642704053e-02
    29 -2.2480005763165722e-02 -1.0559672149328110e-01  1.2773655773676701e-03
 run_vdwl: 0
-run_coul: -3.2559688676881238
+run_coul: -1.6279844338440619
 run_stress: ! |-
   -3.5884511139918063e-01 -2.8085342226235194e-01 -9.8828590018252904e-01 -7.2896447086299665e-02 -1.2402649890512296e-01  4.4478009742746086e-02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-coul_long_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 21:54:26 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 2e-13
 skip_tests: single
 prerequisites: ! |
@@ -22,7 +22,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 0
-init_coul: -29.71221971477267
+init_coul: -14.708394739954706
 init_stress: ! |-
   -4.4682500146741150e-01 -8.6047509216713802e-01 -6.4553825218803396e-01  1.0922786061031881e-01 -7.4123098855941677e-02  1.7858417444213548e-01
 init_forces: ! |2
@@ -56,7 +56,7 @@ init_forces: ! |2
    28  7.9094836612276023e-02 -9.1920739351317601e-02  7.0131183449478468e-02
    29 -2.8350621313942739e-02 -1.1253496829002332e-01  6.0979130852948926e-03
 run_vdwl: 0
-run_coul: -29.731251273115138
+run_coul: -14.71783473652635
 run_stress: ! |-
   -4.4852030899131468e-01 -8.6065441058496217e-01 -6.4453725069726198e-01  1.0854806534578959e-01 -7.5572045511376917e-02  1.7722268039484407e-01
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-coul_table_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 21:54:26 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 2e-13
 skip_tests: single
 prerequisites: ! |
@@ -22,7 +22,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 0
-init_coul: -29.712219961745827
+init_coul: -14.7083948637962
 init_stress: ! |-
   -4.4682508269949711e-01 -8.6047516792273337e-01 -6.4553822845944653e-01  1.0922781028842499e-01 -7.4123017150187404e-02  1.7858412765344503e-01
 init_forces: ! |2
@@ -56,7 +56,7 @@ init_forces: ! |2
    28  7.9094841692925605e-02 -9.1920737966984523e-02  7.0131188951262580e-02
    29 -2.8350626818352681e-02 -1.1253496430752330e-01  6.0979008985069527e-03
 run_vdwl: 0
-run_coul: -29.731251615764826
+run_coul: -14.717834907673769
 run_stress: ! |-
   -4.4852039779927910e-01 -8.6065450321623227e-01 -6.4453713992354955e-01  1.0854804314076133e-01 -7.5571991730931015e-02  1.7722268826576129e-01
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_cut_coul_cut_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 17:21:22 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 2e-13
 skip_tests: single
 prerequisites: ! |
@@ -24,7 +24,7 @@ extract: ! |
   cut_coul 2
 natoms: 29
 init_vdwl: 749.2372261744107
-init_coul: -4.434594305995983
+init_coul: -2.2172971529979915
 init_stress: ! |2-
    2.1789192047888478e+03  2.1983835289983535e+03  4.6649142105125075e+03 -7.5957971667789798e+02  2.4613875798212753e+01  6.6661752907962341e+02
 init_forces: ! |2
@@ -58,7 +58,7 @@ init_forces: ! |2
    28 -1.8032886976019998e+02  7.7442061025399042e+01 -1.2199865251972031e+02
    29  1.2858865665314352e+02  1.4941984445229608e+02  3.1232078244627552e+01
 run_vdwl: 719.4458960925226
-run_coul: -4.431315500339
+run_coul: -2.2156577501695
 run_stress: ! |2-
    2.1325579099546176e+03  2.1542650125586251e+03  4.3971837937097562e+03 -7.3874465321305388e+02  4.1609142199222184e+01  6.2797707893710958e+02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_cut_coul_debye_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 17:21:22 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 5e-14
 skip_tests: single
 prerequisites: ! |
@@ -24,7 +24,7 @@ extract: ! |
   cut_coul 2
 natoms: 29
 init_vdwl: 749.2372261744107
-init_coul: -0.907683098422594
+init_coul: -0.453841549211297
 init_stress: ! |2-
    2.1790428027393864e+03  2.1985673111225965e+03  4.6649946116134061e+03 -7.5966836897522296e+02  2.4669597896456729e+01  6.6656390314795749e+02
 init_forces: ! |2
@@ -58,7 +58,7 @@ init_forces: ! |2
    28 -1.8034484450981202e+02  7.7484602679937353e+01 -1.2201795083491248e+02
    29  1.2856273071478316e+02  1.4944646662042760e+02  3.1210545803020260e+01
 run_vdwl: 719.4454512689834
-run_coul: -0.904794229570553
+run_coul: -0.4523971147852765
 run_stress: ! |2-
    2.1326803818980479e+03  2.1544487279657633e+03  4.3972610198322627e+03 -7.3883316594752262e+02  4.1663294159898854e+01  6.2792366267583293e+02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_cut_coul_long_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 21:59:14 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 7.5e-14
 skip_tests: single
 prerequisites: ! |
@@ -29,7 +29,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 749.2383389865666
-init_coul: -29.71221971477267
+init_coul: -14.708394739954706
 init_stress: ! |2-
    2.1789400433718470e+03  2.1980397146355749e+03  4.6647550140640496e+03 -7.5945564545716627e+02  2.4676533122149131e+01  6.6669814022299795e+02
 init_forces: ! |2
@@ -63,7 +63,7 @@ init_forces: ! |2
    28 -1.8033407202947618e+02  7.7442136418510415e+01 -1.2199948575756908e+02
    29  1.2858227699351801e+02  1.4941463786888403e+02  3.1222136998646921e+01
 run_vdwl: 719.4470396574956
-run_coul: -29.65319009326001
+run_coul: -14.67912401921343
 run_stress: ! |2-
    2.1325789705936331e+03  2.1539215471342845e+03  4.3970250900481042e+03 -7.3862011690601412e+02  4.1671588676557640e+01  6.2805766457360596e+02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_cut_coul_msm_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 17:21:23 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 7.5e-14
 skip_tests: gpu single
 prerequisites: ! |
@@ -30,7 +30,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 749.2346094132243
-init_coul: -29.70925961533066
+init_coul: -14.706914690233697
 init_stress: ! |2-
    2.1789612031842807e+03  2.1981152381312972e+03  4.6646680277585247e+03 -7.5946779142985656e+02  2.4645422189075937e+01  6.6671392029405706e+02
 init_forces: ! |2
@@ -64,7 +64,7 @@ init_forces: ! |2
    28 -1.8033164344153488e+02  7.7445219361580357e+01 -1.2200009551333871e+02
    29  1.2858166873380662e+02  1.4941176346490306e+02  3.1224961137337743e+01
 run_vdwl: 719.4432950773695
-run_coul: -29.65032529047218
+run_coul: -14.677691617615784
 run_stress: ! |2-
    2.1325998460373276e+03  2.1539968508015713e+03  4.3969380677052832e+03 -7.3863226882661615e+02  4.1640490950223843e+01  6.2807365617309108e+02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_cut_coul_table_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 22:23:19 2022
+date_generated: Fri Aug 26 05:35:35 2022
 epsilon: 7.5e-14
 skip_tests: single
 prerequisites: ! |
@@ -29,7 +29,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 749.2383389865666
-init_coul: -29.712219961745827
+init_coul: -14.7083948637962
 init_stress: ! |2-
    2.1789400432906150e+03  2.1980397145598190e+03  4.6647550140877775e+03 -7.5945564550748713e+02  2.4676533203855477e+01  6.6669814017620854e+02
 init_forces: ! |2
@@ -63,7 +63,7 @@ init_forces: ! |2
    28 -1.8033407202439554e+02  7.7442136419894737e+01 -1.2199948575206730e+02
    29  1.2858227698801358e+02  1.4941463787286654e+02  3.1222136986460132e+01
 run_vdwl: 719.4470396574953
-run_coul: -29.653190561072687
+run_coul: -14.679124253243254
 run_stress: ! |2-
    2.1325789704593140e+03  2.1539215469678184e+03  4.3970250900325609e+03 -7.3862011690475572e+02  4.1671588718552556e+01  6.2805766449371924e+02
 run_forces: ! |2

unittest/force-styles/tests/mol-pair-lj_long_coul_long_dielectric.yaml

@@ -1,6 +1,6 @@
 ---
 lammps_version: 3 Aug 2022
-date_generated: Fri Aug 19 17:21:23 2022
+date_generated: Fri Aug 26 05:35:36 2022
 epsilon: 2.5e-09
 skip_tests: single
 prerequisites: ! |
@@ -32,7 +32,7 @@ extract: ! |
   cut_coul 0
 natoms: 29
 init_vdwl: 749.2372263849394
-init_coul: -25.824374943909504
+init_coul: -12.764472354523122
 init_stress: ! |2-
    2.1789896124191414e+03  2.1981530585237952e+03  4.6647324596388034e+03 -7.5948722849527769e+02  2.4637932651155779e+01  6.6668980660846535e+02
 init_forces: ! |2
@@ -66,7 +66,7 @@ init_forces: ! |2
    28 -1.8033786288346673e+02  7.7460473243539269e+01 -1.2200797020049274e+02
    29  1.2857721190478520e+02  1.4942614571460496e+02  3.1218045251445680e+01
 run_vdwl: 719.4456731444792
-run_coul: -25.76570293224262
+run_coul: -12.735380452239427
 run_stress: ! |2-
    2.1326277434189610e+03  2.1540343134567347e+03  4.3970009687048478e+03 -7.3865219002148149e+02  4.1632846446227049e+01  6.2804905206522301e+02
 run_forces: ! |2